4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline

C85H93F3N20O5 — CID 161017697

IUPAC4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCN1CCC(COc2ccc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)c3c2)CC1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCC1CCNC1
InChIInChI=1S/C30H35N7O.C29H33N7O2.C26H25F3N6O2/c1-35-11-9-24(10-12-35)21-38-26-7-8-28-27(18-26)29(34-22-33-28)36-13-15-37(16-14-36)30-31-19-25(20-32-30)17-23-5-3-2-4-6-23;1-37-26-15-25-24(14-27(26)38-19-22-7-8-30-16-22)28(34-20-33-25)35-9-11-36(12-10-35)29-31-17-23(18-32-29)13-21-5-3-2-4-6-21;1-36-22-12-20-21(13-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-14-18(15-31-25)11-17-3-5-19(6-4-17)26(27,28)29/h2-8,18-20,22,24H,9-17,21H2,1H3;2-6,14-15,17-18,20,22,30H,7-13,16,19H2,1H3;3-6,12-16H,7-11H2,1-2H3
InChIKeyTXYDGDNECMHCIJ-UHFFFAOYSA-N
MW1531.81 g/mol
LogP11.77
Rot. Bonds21

About 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline (PubChem CID 161017697) has the molecular formula C85H93F3N20O5 and a molecular weight of 1531.81 g/mol. Its IUPAC name is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline
PubChem CID161017697
Molecular FormulaC85H93F3N20O5
Molecular Weight1531.81 g/mol
Exact Mass1530.76
IUPAC Name4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCN1CCC(COc2ccc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)c3c2)CC1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCC1CCNC1
InChIInChI=1S/C30H35N7O.C29H33N7O2.C26H25F3N6O2/c1-35-11-9-24(10-12-35)21-38-26-7-8-28-27(18-26)29(34-22-33-28)36-13-15-37(16-14-36)30-31-19-25(20-32-30)17-23-5-3-2-4-6-23;1-37-26-15-25-24(14-27(26)38-19-22-7-8-30-16-22)28(34-20-33-25)35-9-11-36(12-10-35)29-31-17-23(18-32-29)13-21-5-3-2-4-6-21;1-36-22-12-20-21(13-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-14-18(15-31-25)11-17-3-5-19(6-4-17)26(27,28)29/h2-8,18-20,22,24H,9-17,21H2,1H3;2-6,14-15,17-18,20,22,30H,7-13,16,19H2,1H3;3-6,12-16H,7-11H2,1-2H3
InChIKeyTXYDGDNECMHCIJ-UHFFFAOYSA-N
XLogP11.77
TPSA235.54 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.81
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

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N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
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CID 5330185
PDGF Receptor Tyrosine Kinase Inhibitor III
CID 10907042
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
Benzo[c][2,7]naphthyridine, 26
CID 44236923
Benzo[c][2,7]naphthyridine, 27
CID 44236924
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CID 53315868
Unc-0642
CID 53315878

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline (CID 161017697) is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline is CN1CCC(COc2ccc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)c3c2)CC1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCC1CCNC1.
What is the InChIKey of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is TXYDGDNECMHCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O.C29H33N7O2.C26H25F3N6O2/c1-35-11-9-24(10-12-35)21-38-26-7-8-28-27(18-26)29(34-22-33-28)36-13-15-37(16-14-36)30-31-19-25(20-32-30)17-23-5-3-2-4-6-23;1-37-26-15-25-24(14-27(26)38-19-22-7-8-30-16-22)28(34-20-33-25)35-9-11-36(12-10-35)29-31-17-23(18-32-29)13-21-5-3-2-4-6-21;1-36-22-12-20-21(13-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-14-18(15-31-25)11-17-3-5-19(6-4-17)26(27,28)29/h2-8,18-20,22,24H,9-17,21H2,1H3;2-6,14-15,17-18,20,22,30H,7-13,16,19H2,1H3;3-6,12-16H,7-11H2,1-2H3.
What are the key properties of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 1531.81 g/mol, XLogP of 11.77, 21 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 161017697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).