4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol

C24H29FN4O2 — CID 159905105

IUPAC4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C)c3F)c2cc1C1(O)CCNCC1
InChIInChI=1S/C24H29FN4O2/c1-14-6-5-7-17(22(14)25)15(2)27-23-18-12-19(24(30)8-10-26-11-9-24)21(31-4)13-20(18)28-16(3)29-23/h5-7,12-13,15,26,30H,8-11H2,1-4H3,(H,27,28,29)/t15-/m1/s1
InChIKeyNWLUQESEZUQPAD-OAHLLOKOSA-N
MW424.52 g/mol
LogP4.14
Rot. Bonds5

About 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol

4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol (PubChem CID 159905105) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol
PubChem CID159905105
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C)c3F)c2cc1C1(O)CCNCC1
InChIInChI=1S/C24H29FN4O2/c1-14-6-5-7-17(22(14)25)15(2)27-23-18-12-19(24(30)8-10-26-11-9-24)21(31-4)13-20(18)28-16(3)29-23/h5-7,12-13,15,26,30H,8-11H2,1-4H3,(H,27,28,29)/t15-/m1/s1
InChIKeyNWLUQESEZUQPAD-OAHLLOKOSA-N
XLogP4.14
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol with MolForge

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Related Compounds

5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
Cct-241533
CID 135564841
2-Aminoquinazoline 20
CID 5330318
ZM 323881 hydrochloride
CID 22624897
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 18
CID 5330316
2-Aminoquinazoline 21
CID 5330319
5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol
CID 16759369
6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 155818531

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol?
The IUPAC name of 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol (CID 159905105) is 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol?
The canonical SMILES for 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol is COc1cc2nc(C)nc(N[C@H](C)c3cccc(C)c3F)c2cc1C1(O)CCNCC1.
What is the InChIKey of 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol?
The InChIKey is NWLUQESEZUQPAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-14-6-5-7-17(22(14)25)15(2)27-23-18-12-19(24(30)8-10-26-11-9-24)21(31-4)13-20(18)28-16(3)29-23/h5-7,12-13,15,26,30H,8-11H2,1-4H3,(H,27,28,29)/t15-/m1/s1.
What are the key properties of 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol?
4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol has a molecular weight of 424.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol is sourced from PubChem (CID 159905105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).