N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide

C24H18ClN5O3 — CID 140530470

IUPACN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C24H18ClN5O3/c25-17-3-1-16(2-4-17)12-30-15-27-21-7-5-18(11-20(21)24(30)32)28-23(31)22-8-6-19(33-22)13-29-10-9-26-14-29/h1-11,14-15H,12-13H2,(H,28,31)
InChIKeyRPTLRHVANHCOMG-UHFFFAOYSA-N
MW459.89 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide

N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 140530470) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide
PubChem CID140530470
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C24H18ClN5O3/c25-17-3-1-16(2-4-17)12-30-15-27-21-7-5-18(11-20(21)24(30)32)28-23(31)22-8-6-19(33-22)13-29-10-9-26-14-29/h1-11,14-15H,12-13H2,(H,28,31)
InChIKeyRPTLRHVANHCOMG-UHFFFAOYSA-N
XLogP4.19
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide with MolForge

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Related Compounds

2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoacetic acid
CID 44574768
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
CID 67360985
N-(3-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide (CID 140530470) is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide is O=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccc(Cn2ccnc2)o1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is RPTLRHVANHCOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c25-17-3-1-16(2-4-17)12-30-15-27-21-7-5-18(11-20(21)24(30)32)28-23(31)22-8-6-19(33-22)13-29-10-9-26-14-29/h1-11,14-15H,12-13H2,(H,28,31).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide?
N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 459.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 140530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).