N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C19H18ClN3O5 — CID 15995157

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1=O
InChIInChI=1S/C19H18ClN3O5/c1-27-8-7-23-18(25)13-5-3-11(9-15(13)22-19(23)26)17(24)21-12-4-6-16(28-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyCLCZLTSFNONXAV-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.25
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 15995157) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID15995157
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1=O
InChIInChI=1S/C19H18ClN3O5/c1-27-8-7-23-18(25)13-5-3-11(9-15(13)22-19(23)26)17(24)21-12-4-6-16(28-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyCLCZLTSFNONXAV-UHFFFAOYSA-N
XLogP2.25
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 15995157) is N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is CLCZLTSFNONXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-27-8-7-23-18(25)13-5-3-11(9-15(13)22-19(23)26)17(24)21-12-4-6-16(28-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 403.82 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 15995157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).