2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C20H20ClFN4O2 — CID 135512409

IUPAC2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C20H20ClFN4O2/c1-2-26(12-19(27)23-10-13-3-6-15(22)7-4-13)11-18-24-17-9-14(21)5-8-16(17)20(28)25-18/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyHRZBMEULQXMSLK-UHFFFAOYSA-N
MW402.86 g/mol
LogP2.85
Rot. Bonds7

About 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 135512409) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID135512409
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C20H20ClFN4O2/c1-2-26(12-19(27)23-10-13-3-6-15(22)7-4-13)11-18-24-17-9-14(21)5-8-16(17)20(28)25-18/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyHRZBMEULQXMSLK-UHFFFAOYSA-N
XLogP2.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135887519
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 135888041
N-(2,4-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808404
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 135550205
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 135516424
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]propanenitrile
CID 167913239
1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-propyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 137017000
7-chloro-2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135811823

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 135512409) is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HRZBMEULQXMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-2-26(12-19(27)23-10-13-3-6-15(22)7-4-13)11-18-24-17-9-14(21)5-8-16(17)20(28)25-18/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 402.86 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 135512409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).