N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide

C18H24N4O2 — CID 71842358

IUPACN-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C18H24N4O2/c1-13(2)5-6-19-18(23)14-3-4-16-15(11-14)17(21-12-20-16)22-7-9-24-10-8-22/h3-4,11-13H,5-10H2,1-2H3,(H,19,23)
InChIKeyXEEVXPPQWCMVNX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.24
Rot. Bonds5

About N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide

N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide (PubChem CID 71842358) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
PubChem CID71842358
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C18H24N4O2/c1-13(2)5-6-19-18(23)14-3-4-16-15(11-14)17(21-12-20-16)22-7-9-24-10-8-22/h3-4,11-13H,5-10H2,1-2H3,(H,19,23)
InChIKeyXEEVXPPQWCMVNX-UHFFFAOYSA-N
XLogP2.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide (CID 71842358) is N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide is CC(C)CCNC(=O)c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide?
The InChIKey is XEEVXPPQWCMVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)5-6-19-18(23)14-3-4-16-15(11-14)17(21-12-20-16)22-7-9-24-10-8-22/h3-4,11-13H,5-10H2,1-2H3,(H,19,23).
What are the key properties of N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide?
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).