N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C19H18ClN3O4 — CID 15988093

IUPACN-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-27-9-8-23-18(25)14-7-6-12(10-16(14)22-19(23)26)17(24)21-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,26)
InChIKeyZYRDPZYEVDNTAF-UHFFFAOYSA-N
MW387.82 g/mol
LogP1.92
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 15988093) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID15988093
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-27-9-8-23-18(25)14-7-6-12(10-16(14)22-19(23)26)17(24)21-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,26)
InChIKeyZYRDPZYEVDNTAF-UHFFFAOYSA-N
XLogP1.92
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 15988093) is N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is COCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is ZYRDPZYEVDNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-27-9-8-23-18(25)14-7-6-12(10-16(14)22-19(23)26)17(24)21-11-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 15988093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).