N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide

C17H22N4O2 — CID 71842372

IUPACN-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C17H22N4O2/c1-3-12(2)20-17(22)13-4-5-15-14(10-13)16(19-11-18-15)21-6-8-23-9-7-21/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22)
InChIKeyWQPJPTNIGMHKER-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds4

About N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide

N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide (PubChem CID 71842372) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
PubChem CID71842372
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C17H22N4O2/c1-3-12(2)20-17(22)13-4-5-15-14(10-13)16(19-11-18-15)21-6-8-23-9-7-21/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22)
InChIKeyWQPJPTNIGMHKER-UHFFFAOYSA-N
XLogP1.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71830080
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
(4-morpholin-4-ylquinazolin-6-yl)boronic acid
CID 141302023
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138161

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide?
The IUPAC name of N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide (CID 71842372) is N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide is CCC(C)NC(=O)c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide?
The InChIKey is WQPJPTNIGMHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-12(2)20-17(22)13-4-5-15-14(10-13)16(19-11-18-15)21-6-8-23-9-7-21/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide?
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).