N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C24H21ClN4O3 — CID 60602373

IUPACN-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H21ClN4O3/c25-19-14-17(10-11-20(19)26-15-16-6-2-1-3-7-16)27-22(30)12-13-29-21-9-5-4-8-18(21)23(31)28-24(29)32/h1-11,14,26H,12-13,15H2,(H,27,30)(H,28,31,32)
InChIKeyFJDLKUXXTDZQEU-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.98
Rot. Bonds7

About N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 60602373) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID60602373
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H21ClN4O3/c25-19-14-17(10-11-20(19)26-15-16-6-2-1-3-7-16)27-22(30)12-13-29-21-9-5-4-8-18(21)23(31)28-24(29)32/h1-11,14,26H,12-13,15H2,(H,27,30)(H,28,31,32)
InChIKeyFJDLKUXXTDZQEU-UHFFFAOYSA-N
XLogP3.98
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
CID 55970544
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
CID 167974850
3-(2,4-dioxoquinazolin-1-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 24598058
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 60602373) is N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(NCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is FJDLKUXXTDZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-19-14-17(10-11-20(19)26-15-16-6-2-1-3-7-16)27-22(30)12-13-29-21-9-5-4-8-18(21)23(31)28-24(29)32/h1-11,14,26H,12-13,15H2,(H,27,30)(H,28,31,32).
What are the key properties of N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 448.91 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 60602373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).