3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide

C19H17ClN4O2 — CID 118571580

IUPAC3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
SMILESNC(=O)c1cccc(-n2c([C@@H](N)C3CC3)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C19H17ClN4O2/c20-13-5-2-6-14-15(13)19(26)24(18(23-14)16(21)10-7-8-10)12-4-1-3-11(9-12)17(22)25/h1-6,9-10,16H,7-8,21H2,(H2,22,25)/t16-/m0/s1
InChIKeyXMXRXCGXGBPKDM-INIZCTEOSA-N
MW368.82 g/mol
LogP2.55
Rot. Bonds4

About 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide

3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide (PubChem CID 118571580) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
PubChem CID118571580
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
SMILESNC(=O)c1cccc(-n2c([C@@H](N)C3CC3)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C19H17ClN4O2/c20-13-5-2-6-14-15(13)19(26)24(18(23-14)16(21)10-7-8-10)12-4-1-3-11(9-12)17(22)25/h1-6,9-10,16H,7-8,21H2,(H2,22,25)/t16-/m0/s1
InChIKeyXMXRXCGXGBPKDM-INIZCTEOSA-N
XLogP2.55
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-8-fluoro-4-oxoquinazolin-3-yl]benzamide
CID 118571459
3-[5-chloro-2-[cyclopropyl-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]methyl]-4-oxoquinazolin-3-yl]benzamide
CID 118571308
3-[5-chloro-2-[1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-4-oxoquinazolin-3-yl]benzamide
CID 118571622
tert-butyl-[(S)-[3-(3-carbamoylphenyl)-5,8-dichloro-4-oxoquinazolin-2-yl]-cyclopropylmethyl]carbamic acid
CID 139556617
2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one
CID 118576091
2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 118572384
5-[5-chloro-2-[(S)-cyclopropyl-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]methyl]-4-oxoquinazolin-3-yl]pyridine-3-carboxamide
CID 118571316
tert-butyl N-[(S)-[3-(3-carbamoylphenyl)-5,8-dichloro-4-oxoquinazolin-2-yl]-cyclopropylmethyl]carbamate
CID 141477808
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
3-[2-(1-aminobutyl)-5,8-dichloro-4-oxoquinazolin-3-yl]benzamide
CID 118571504
1-[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]-3-(2-chlorophenyl)urea
CID 118571354
3-[5-chloro-2-[(S)-cyclopropyl-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]methyl]-8-fluoro-4-oxoquinazolin-3-yl]benzamide
CID 118571473

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide (CID 118571580) is 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide is NC(=O)c1cccc(-n2c([C@@H](N)C3CC3)nc3cccc(Cl)c3c2=O)c1.
What is the InChIKey of 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is XMXRXCGXGBPKDM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-13-5-2-6-14-15(13)19(26)24(18(23-14)16(21)10-7-8-10)12-4-1-3-11(9-12)17(22)25/h1-6,9-10,16H,7-8,21H2,(H2,22,25)/t16-/m0/s1.
What are the key properties of 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide?
3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 118571580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).