N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide

C26H24Cl2FN5O2 — CID 25151812

IUPACN-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCN)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C26H24Cl2FN5O2/c1-2-22(33(14-13-30)25(35)19-9-6-10-20(28)23(19)29)24-31-21-15-16(27)11-12-18(21)26(36)34(24)32-17-7-4-3-5-8-17/h3-12,15,22,32H,2,13-14,30H2,1H3
InChIKeyYAYZWTCHLOBYQD-UHFFFAOYSA-N
MW528.42 g/mol
LogP5.27
Rot. Bonds8

About N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide

N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide (PubChem CID 25151812) has the molecular formula C26H24Cl2FN5O2 and a molecular weight of 528.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide
PubChem CID25151812
Molecular FormulaC26H24Cl2FN5O2
Molecular Weight528.42 g/mol
Exact Mass527.13
IUPAC NameN-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCN)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C26H24Cl2FN5O2/c1-2-22(33(14-13-30)25(35)19-9-6-10-20(28)23(19)29)24-31-21-15-16(27)11-12-18(21)26(36)34(24)32-17-7-4-3-5-8-17/h3-12,15,22,32H,2,13-14,30H2,1H3
InChIKeyYAYZWTCHLOBYQD-UHFFFAOYSA-N
XLogP5.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.42
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide with MolForge

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Related Compounds

N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-2,3-difluoro-4-methylbenzamide
CID 25151438
N-(3-aminopropyl)-N-[4-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamide
CID 66665634
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
CID 4667171
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide (CID 25151812) is N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide is CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCN)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide?
The InChIKey is YAYZWTCHLOBYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN5O2/c1-2-22(33(14-13-30)25(35)19-9-6-10-20(28)23(19)29)24-31-21-15-16(27)11-12-18(21)26(36)34(24)32-17-7-4-3-5-8-17/h3-12,15,22,32H,2,13-14,30H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide?
N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide has a molecular weight of 528.42 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)propyl]-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 25151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).