N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide

C27H27N5O — CID 110251599

IUPACN,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cc(N2CCC(c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N5O/c1-18-15-25(30-26(28-18)19-9-5-4-6-10-19)32-14-13-20(17-32)24-16-22(27(33)31(2)3)21-11-7-8-12-23(21)29-24/h4-12,15-16,20H,13-14,17H2,1-3H3
InChIKeyCVUDPCVRVBUOOW-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.70
Rot. Bonds4

About N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 110251599) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID110251599
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC NameN,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cc(N2CCC(c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N5O/c1-18-15-25(30-26(28-18)19-9-5-4-6-10-19)32-14-13-20(17-32)24-16-22(27(33)31(2)3)21-11-7-8-12-23(21)29-24/h4-12,15-16,20H,13-14,17H2,1-3H3
InChIKeyCVUDPCVRVBUOOW-UHFFFAOYSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
N,N-dimethyl-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251426
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638584
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56867245
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 110251599) is N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide is Cc1cc(N2CCC(c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is CVUDPCVRVBUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-18-15-25(30-26(28-18)19-9-5-4-6-10-19)32-14-13-20(17-32)24-16-22(27(33)31(2)3)21-11-7-8-12-23(21)29-24/h4-12,15-16,20H,13-14,17H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).