N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine

C60H67F2N15O5 — CID 123924591

IUPACN-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(-c6c(OC)c(OCC7CCN(C)CC7)cc7c(N8CCN(c9ncc(Oc%10ccc(F)cc%10)cn9)CC8)ncnc67)c5)cn4)CC3)c2cc1OCC1CCN(C)CC1
InChIInChI=1S/C60H67F2N15O5/c1-72-15-11-39(12-16-72)35-80-52-28-47-50(30-51(52)78-3)67-37-69-57(47)74-19-23-76(24-20-74)59-63-31-43(32-64-59)71-42-7-10-49(62)46(27-42)54-55-48(29-53(56(54)79-4)81-36-40-13-17-73(2)18-14-40)58(70-38-68-55)75-21-25-77(26-22-75)60-65-33-45(34-66-60)82-44-8-5-41(61)6-9-44/h5-10,27-34,37-40,71H,11-26,35-36H2,1-4H3
InChIKeyNWFRFYYLFIBYPH-UHFFFAOYSA-N
MW1116.29 g/mol
LogP8.75
Rot. Bonds17

About N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine

N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine (PubChem CID 123924591) has the molecular formula C60H67F2N15O5 and a molecular weight of 1116.29 g/mol. Its IUPAC name is N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
PubChem CID123924591
Molecular FormulaC60H67F2N15O5
Molecular Weight1116.29 g/mol
Exact Mass1115.54
IUPAC NameN-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(-c6c(OC)c(OCC7CCN(C)CC7)cc7c(N8CCN(c9ncc(Oc%10ccc(F)cc%10)cn9)CC8)ncnc67)c5)cn4)CC3)c2cc1OCC1CCN(C)CC1
InChIInChI=1S/C60H67F2N15O5/c1-72-15-11-39(12-16-72)35-80-52-28-47-50(30-51(52)78-3)67-37-69-57(47)74-19-23-76(24-20-74)59-63-31-43(32-64-59)71-42-7-10-49(62)46(27-42)54-55-48(29-53(56(54)79-4)81-36-40-13-17-73(2)18-14-40)58(70-38-68-55)75-21-25-77(26-22-75)60-65-33-45(34-66-60)82-44-8-5-41(61)6-9-44/h5-10,27-34,37-40,71H,11-26,35-36H2,1-4H3
InChIKeyNWFRFYYLFIBYPH-UHFFFAOYSA-N
XLogP8.75
TPSA180.74 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001116.29
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine with MolForge

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Related Compounds

Dibenzo[c,f][2,7]naphthyridine, 17
CID 17754539
Benzo[c][2,7]naphthyridine, 33
CID 44236931
Benzo[c][2,7]naphthyridine, 42
CID 44236940
2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
CID 44608012
2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
CID 44620952
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-isoquinolin-5-yloxyphenyl)piperazine-1-carboxamide
CID 10168074
4-Amino-6,7-dimethoxy-2-[4-(2-morpholinopyrimidin-4-yl)piperazino]quinazoline
CID 13869556
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-bis(2-methoxyethoxy)quinazoline
CID 117620118
N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330181
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]pyridine-4-carboxamide
CID 23646077
Pentanamide, N-[5-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]-2-pyrimidinyl]-
CID 23646078
Benzo[c][2,7]naphthyridine, 44
CID 44236942

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine (CID 123924591) is N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine is COc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(-c6c(OC)c(OCC7CCN(C)CC7)cc7c(N8CCN(c9ncc(Oc%10ccc(F)cc%10)cn9)CC8)ncnc67)c5)cn4)CC3)c2cc1OCC1CCN(C)CC1.
What is the InChIKey of N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is NWFRFYYLFIBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H67F2N15O5/c1-72-15-11-39(12-16-72)35-80-52-28-47-50(30-51(52)78-3)67-37-69-57(47)74-19-23-76(24-20-74)59-63-31-43(32-64-59)71-42-7-10-49(62)46(27-42)54-55-48(29-53(56(54)79-4)81-36-40-13-17-73(2)18-14-40)58(70-38-68-55)75-21-25-77(26-22-75)60-65-33-45(34-66-60)82-44-8-5-41(61)6-9-44/h5-10,27-34,37-40,71H,11-26,35-36H2,1-4H3.
What are the key properties of N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine?
N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 1116.29 g/mol, XLogP of 8.75, 17 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 123924591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).