N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide

C20H22N4O2 — CID 143244804

IUPACN-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide
SMILESCc1ccc2c(NCC[C@H](C)NC=O)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C20H22N4O2/c1-13-7-8-15-17(11-13)23-20(16-5-3-4-6-18(16)26)24-19(15)21-10-9-14(2)22-12-25/h3-8,11-12,14,26H,9-10H2,1-2H3,(H,22,25)(H,21,23,24)/t14-/m0/s1
InChIKeyIHDIXPSXFDAIOU-AWEZNQCLSA-N
MW350.42 g/mol
LogP3.25
Rot. Bonds7

About N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide

N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide (PubChem CID 143244804) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide
PubChem CID143244804
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide
SMILESCc1ccc2c(NCC[C@H](C)NC=O)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C20H22N4O2/c1-13-7-8-15-17(11-13)23-20(16-5-3-4-6-18(16)26)24-19(15)21-10-9-14(2)22-12-25/h3-8,11-12,14,26H,9-10H2,1-2H3,(H,22,25)(H,21,23,24)/t14-/m0/s1
InChIKeyIHDIXPSXFDAIOU-AWEZNQCLSA-N
XLogP3.25
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine
CID 143244887
methyl N-[(2S)-4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-4-iminobutan-2-yl]carbamate
CID 174546999
methyl N-[(2S)-4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-4-iminobutan-2-yl]carbamate;hydrochloride
CID 174547002
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
2-[4-[butyl(propyl)amino]-7-methylquinazolin-2-yl]phenol
CID 143245151
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide
CID 143198679
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 159506141
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 161090945
butan-1-ol;ethane;formaldehyde;N-methylmethanamine;2-(7-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)phenol
CID 143198431
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
CID 135898999

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide?
The IUPAC name of N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide (CID 143244804) is N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide is Cc1ccc2c(NCC[C@H](C)NC=O)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide?
The InChIKey is IHDIXPSXFDAIOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-7-8-15-17(11-13)23-20(16-5-3-4-6-18(16)26)24-19(15)21-10-9-14(2)22-12-25/h3-8,11-12,14,26H,9-10H2,1-2H3,(H,22,25)(H,21,23,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide?
N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide has a molecular weight of 350.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]amino]butan-2-yl]formamide is sourced from PubChem (CID 143244804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).