(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one

C21H24N4O2 — CID 158409488

IUPAC(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one
SMILESCOc1ccc(N(C)c2nc(CCC(=O)[C@H](C)N)nc3ccccc23)cc1
InChIInChI=1S/C21H24N4O2/c1-14(22)19(26)12-13-20-23-18-7-5-4-6-17(18)21(24-20)25(2)15-8-10-16(27-3)11-9-15/h4-11,14H,12-13,22H2,1-3H3/t14-/m0/s1
InChIKeyGZCSVMUPDQVQAF-AWEZNQCLSA-N
MW364.45 g/mol
LogP3.26
Rot. Bonds7

About (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one

(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one (PubChem CID 158409488) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one
PubChem CID158409488
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one
SMILESCOc1ccc(N(C)c2nc(CCC(=O)[C@H](C)N)nc3ccccc23)cc1
InChIInChI=1S/C21H24N4O2/c1-14(22)19(26)12-13-20-23-18-7-5-4-6-17(18)21(24-20)25(2)15-8-10-16(27-3)11-9-15/h4-11,14H,12-13,22H2,1-3H3/t14-/m0/s1
InChIKeyGZCSVMUPDQVQAF-AWEZNQCLSA-N
XLogP3.26
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one with MolForge

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Related Compounds

N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
5-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methoxy]pentanoic acid
CID 90926744
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11702079
2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 59242131
[2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 68517339
2-[(heptylamino)methyl]-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 143778204
(E)-7-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]hept-6-enoic acid
CID 68853969
2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
CID 57223906
2-(chloromethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 68517238
tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
CID 59237266

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one?
The IUPAC name of (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one (CID 158409488) is (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one.
What is the SMILES notation for (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one?
The canonical SMILES for (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one is COc1ccc(N(C)c2nc(CCC(=O)[C@H](C)N)nc3ccccc23)cc1.
What is the InChIKey of (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one?
The InChIKey is GZCSVMUPDQVQAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(22)19(26)12-13-20-23-18-7-5-4-6-17(18)21(24-20)25(2)15-8-10-16(27-3)11-9-15/h4-11,14H,12-13,22H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one?
(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one has a molecular weight of 364.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one is sourced from PubChem (CID 158409488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).