N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide

C20H21N3O — CID 13272357

IUPACN-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3
InChIKeyHYTRGVCHLINHFI-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.17
Rot. Bonds4

About N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide

N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide (PubChem CID 13272357) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide
PubChem CID13272357
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3
InChIKeyHYTRGVCHLINHFI-UHFFFAOYSA-N
XLogP4.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide (CID 13272357) is N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide is CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide?
The InChIKey is HYTRGVCHLINHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide?
N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-4-phenylquinazoline-2-carboxamide is sourced from PubChem (CID 13272357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).