(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C21H26N4O — CID 95111922

IUPAC(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCCC4)ncc3C2)c1C
InChIInChI=1S/C21H26N4O/c1-14-6-5-7-18(15(14)2)23-20(26)16-8-9-19-17(12-16)13-22-21(24-19)25-10-3-4-11-25/h5-7,13,16H,3-4,8-12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyBVBFTLWEBYDDAP-MRXNPFEDSA-N
MW350.47 g/mol
LogP3.44
Rot. Bonds3

About (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 95111922) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID95111922
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCCC4)ncc3C2)c1C
InChIInChI=1S/C21H26N4O/c1-14-6-5-7-18(15(14)2)23-20(26)16-8-9-19-17(12-16)13-22-21(24-19)25-10-3-4-11-25/h5-7,13,16H,3-4,8-12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyBVBFTLWEBYDDAP-MRXNPFEDSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836103
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
(6R)-N-(2,3-dimethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109611
N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193910
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 95111922) is (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCCC4)ncc3C2)c1C.
What is the InChIKey of (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is BVBFTLWEBYDDAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-6-5-7-18(15(14)2)23-20(26)16-8-9-19-17(12-16)13-22-21(24-19)25-10-3-4-11-25/h5-7,13,16H,3-4,8-12H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 95111922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).