N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

C18H25N3O2 — CID 136619437

IUPACN,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C18H25N3O2/c1-4-6-10-21(11-7-5-2)18(23)14-8-9-15-16(12-14)19-13(3)20-17(15)22/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22)
InChIKeySIUCRPDMUFMOPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.27
Rot. Bonds7

About N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 136619437) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID136619437
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C18H25N3O2/c1-4-6-10-21(11-7-5-2)18(23)14-8-9-15-16(12-14)19-13(3)20-17(15)22/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22)
InChIKeySIUCRPDMUFMOPV-UHFFFAOYSA-N
XLogP3.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (CID 136619437) is N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is CCCCN(CCCC)C(=O)c1ccc2c(=O)[nH]c(C)nc2c1.
What is the InChIKey of N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is SIUCRPDMUFMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-6-10-21(11-7-5-2)18(23)14-8-9-15-16(12-14)19-13(3)20-17(15)22/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22).
What are the key properties of N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 136619437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).