N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C24H21ClN4O5 — CID 46209226

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)N[C@H](C)c4ccc(Cl)cc4)ccc3c2=O)nc1OC
InChIInChI=1S/C24H21ClN4O5/c1-13(14-4-7-16(25)8-5-14)26-21(30)15-6-9-17-18(12-15)27-24(32)29(23(17)31)20-11-10-19(33-2)22(28-20)34-3/h4-13H,1-3H3,(H,26,30)(H,27,32)/t13-/m1/s1
InChIKeyWSDFYMARQGURQT-CYBMUJFWSA-N
MW480.91 g/mol
LogP3.24
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 46209226) has the molecular formula C24H21ClN4O5 and a molecular weight of 480.91 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID46209226
Molecular FormulaC24H21ClN4O5
Molecular Weight480.91 g/mol
Exact Mass480.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)N[C@H](C)c4ccc(Cl)cc4)ccc3c2=O)nc1OC
InChIInChI=1S/C24H21ClN4O5/c1-13(14-4-7-16(25)8-5-14)26-21(30)15-6-9-17-18(12-15)27-24(32)29(23(17)31)20-11-10-19(33-2)22(28-20)34-3/h4-13H,1-3H3,(H,26,30)(H,27,32)/t13-/m1/s1
InChIKeyWSDFYMARQGURQT-CYBMUJFWSA-N
XLogP3.24
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 46209000
3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
CID 46212325
N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
CID 46196345
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 46209226) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is COc1ccc(-n2c(=O)[nH]c3cc(C(=O)N[C@H](C)c4ccc(Cl)cc4)ccc3c2=O)nc1OC.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is WSDFYMARQGURQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H21ClN4O5/c1-13(14-4-7-16(25)8-5-14)26-21(30)15-6-9-17-18(12-15)27-24(32)29(23(17)31)20-11-10-19(33-2)22(28-20)34-3/h4-13H,1-3H3,(H,26,30)(H,27,32)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 480.91 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 46209226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).