N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide

C17H22N4O — CID 71842520

IUPACN-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C17H22N4O/c1-3-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyNYGYMQXMBNXAGZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.76
Rot. Bonds4

About N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide

N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide (PubChem CID 71842520) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
PubChem CID71842520
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCCC3)c2c1
InChIInChI=1S/C17H22N4O/c1-3-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyNYGYMQXMBNXAGZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71830080
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-butan-2-yl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196292
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide (CID 71842520) is N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide is CCC(C)NC(=O)c1ccc2ncnc(N3CCCC3)c2c1.
What is the InChIKey of N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The InChIKey is NYGYMQXMBNXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).