(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C17H26N4O — CID 129369349

IUPAC(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCCNC(=O)[C@H]1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-2-3-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-5-10-21/h12-13H,2-11H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyCZWNKXFVJKKNFS-ZDUSSCGKSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds5

About (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 129369349) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID129369349
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCCNC(=O)[C@H]1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-2-3-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-5-10-21/h12-13H,2-11H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyCZWNKXFVJKKNFS-ZDUSSCGKSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112000
(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112085
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111922
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193924

Frequently Asked Questions

What is the IUPAC name of (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 129369349) is (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCCCNC(=O)[C@H]1CCc2nc(N3CCCC3)ncc2C1.
What is the InChIKey of (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is CZWNKXFVJKKNFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-3-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-5-10-21/h12-13H,2-11H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 129369349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).