[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol

C18H18ClN3O — CID 163250679

IUPAC[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol
SMILESCc1nc(N[C@H](C)c2cccc(Cl)c2)c2cc(CO)ccc2n1
InChIInChI=1S/C18H18ClN3O/c1-11(14-4-3-5-15(19)9-14)20-18-16-8-13(10-23)6-7-17(16)21-12(2)22-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyBZPGKKHBBMGITH-LLVKDONJSA-N
MW327.82 g/mol
LogP4.26
Rot. Bonds4

About [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol

[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol (PubChem CID 163250679) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol.

Molecular Properties

Compound Name[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol
PubChem CID163250679
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol
SMILESCc1nc(N[C@H](C)c2cccc(Cl)c2)c2cc(CO)ccc2n1
InChIInChI=1S/C18H18ClN3O/c1-11(14-4-3-5-15(19)9-14)20-18-16-8-13(10-23)6-7-17(16)21-12(2)22-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyBZPGKKHBBMGITH-LLVKDONJSA-N
XLogP4.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol with MolForge

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2,6-dimethylquinazolin-4-amine
CID 135336392
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308
(4-amino-2-methylquinazolin-6-yl)methanol
CID 142164953
2-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetic acid
CID 153283525
6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-[(E)-3-phenylprop-1-enyl]phenyl]ethyl]quinazolin-4-amine
CID 135336738
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
1-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159424789

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol?
The IUPAC name of [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol (CID 163250679) is [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol.
What is the SMILES notation for [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol?
The canonical SMILES for [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol is Cc1nc(N[C@H](C)c2cccc(Cl)c2)c2cc(CO)ccc2n1.
What is the InChIKey of [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol?
The InChIKey is BZPGKKHBBMGITH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11(14-4-3-5-15(19)9-14)20-18-16-8-13(10-23)6-7-17(16)21-12(2)22-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)/t11-/m1/s1.
What are the key properties of [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol?
[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol has a molecular weight of 327.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol is sourced from PubChem (CID 163250679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).