(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol

C18H18ClN3O2 — CID 97197584

IUPAC(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C18H18ClN3O2/c19-13-7-5-12(6-8-13)9-14(10-23)20-18-15-3-1-2-4-16(15)21-17(11-24)22-18/h1-8,14,23-24H,9-11H2,(H,20,21,22)/t14-/m1/s1
InChIKeySBODCZYIMVNEAH-CQSZACIVSA-N
MW343.81 g/mol
LogP2.79
Rot. Bonds6

About (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol

(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol (PubChem CID 97197584) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol
PubChem CID97197584
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C18H18ClN3O2/c19-13-7-5-12(6-8-13)9-14(10-23)20-18-15-3-1-2-4-16(15)21-17(11-24)22-18/h1-8,14,23-24H,9-11H2,(H,20,21,22)/t14-/m1/s1
InChIKeySBODCZYIMVNEAH-CQSZACIVSA-N
XLogP2.79
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
CID 68722436
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
CID 21003994
(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
2-(chloromethyl)-N-propan-2-ylquinazolin-4-amine
CID 68909958
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
1-(4-chlorophenyl)-N-[[4-[[(1R,2S)-1-hydroxy-1-methoxy-3-methylbutan-2-yl]amino]quinazolin-2-yl]methyl]methanesulfonamide
CID 71220364
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
3-(4-chlorophenyl)-2-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]propan-1-ol
CID 56888147
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
CID 44590732

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol (CID 97197584) is (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol is OCc1nc(N[C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol?
The InChIKey is SBODCZYIMVNEAH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-13-7-5-12(6-8-13)9-14(10-23)20-18-15-3-1-2-4-16(15)21-17(11-24)22-18/h1-8,14,23-24H,9-11H2,(H,20,21,22)/t14-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol?
(2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol has a molecular weight of 343.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[[2-(hydroxymethyl)quinazolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 97197584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).