N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

C20H16Cl2N4O3 — CID 16610686

IUPACN-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H16Cl2N4O3/c21-11-7-14-18(15(22)8-11)23-10-26(20(14)29)9-17(27)25-16-4-2-1-3-13(16)19(28)24-12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,24,28)(H,25,27)
InChIKeyZXQDZLDLZZLHLJ-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (PubChem CID 16610686) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
PubChem CID16610686
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC NameN-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H16Cl2N4O3/c21-11-7-14-18(15(22)8-11)23-10-26(20(14)29)9-17(27)25-16-4-2-1-3-13(16)19(28)24-12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,24,28)(H,25,27)
InChIKeyZXQDZLDLZZLHLJ-UHFFFAOYSA-N
XLogP3.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 38858482
N-cyclopentyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 28542618
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
N-cyclopropyl-2-[[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16611778
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17095359
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584696
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (CID 16610686) is N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The InChIKey is ZXQDZLDLZZLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c21-11-7-14-18(15(22)8-11)23-10-26(20(14)29)9-17(27)25-16-4-2-1-3-13(16)19(28)24-12-5-6-12/h1-4,7-8,10,12H,5-6,9H2,(H,24,28)(H,25,27).
What are the key properties of N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide has a molecular weight of 431.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 16610686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).