N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide

C14H17N3O4 — CID 39341503

IUPACN-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCCO)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O4/c1-21-9-7-17-12(13(19)15-6-8-18)16-11-5-3-2-4-10(11)14(17)20/h2-5,18H,6-9H2,1H3,(H,15,19)
InChIKeyHRIVXRGIVLRKPQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.23
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide

N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide (PubChem CID 39341503) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
PubChem CID39341503
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCCO)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O4/c1-21-9-7-17-12(13(19)15-6-8-18)16-11-5-3-2-4-10(11)14(17)20/h2-5,18H,6-9H2,1H3,(H,15,19)
InChIKeyHRIVXRGIVLRKPQ-UHFFFAOYSA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide (CID 39341503) is N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide is COCCn1c(C(=O)NCCO)nc2ccccc2c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The InChIKey is HRIVXRGIVLRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-9-7-17-12(13(19)15-6-8-18)16-11-5-3-2-4-10(11)14(17)20/h2-5,18H,6-9H2,1H3,(H,15,19).
What are the key properties of N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 39341503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).