N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide

C27H33N5O — CID 145305825

IUPACN-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
SMILESCC(=O)N(c1c(C)cnc2ccc(-c3ccc(N4CC(N(C)C)C4)nc3)cc12)C1CCCC1
InChIInChI=1S/C27H33N5O/c1-18-14-28-25-11-9-20(13-24(25)27(18)32(19(2)33)22-7-5-6-8-22)21-10-12-26(29-15-21)31-16-23(17-31)30(3)4/h9-15,22-23H,5-8,16-17H2,1-4H3
InChIKeyRWSGSOQVBHYJDK-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.65
Rot. Bonds5

About N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide

N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide (PubChem CID 145305825) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
PubChem CID145305825
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC NameN-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
SMILESCC(=O)N(c1c(C)cnc2ccc(-c3ccc(N4CC(N(C)C)C4)nc3)cc12)C1CCCC1
InChIInChI=1S/C27H33N5O/c1-18-14-28-25-11-9-20(13-24(25)27(18)32(19(2)33)22-7-5-6-8-22)21-10-12-26(29-15-21)31-16-23(17-31)30(3)4/h9-15,22-23H,5-8,16-17H2,1-4H3
InChIKeyRWSGSOQVBHYJDK-UHFFFAOYSA-N
XLogP4.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane
CID 145305826
N-(4-methoxycyclohexyl)-N-[3-methyl-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-4-yl]acetamide
CID 145305806
N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
CID 144956361
8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104514
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one
CID 155573075
3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 53150002
3-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-7-(4-methylphenyl)chromen-4-one;N,N-dimethylpropan-2-amine;ethane
CID 143127010
2-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]acetaldehyde
CID 87121052
6-chloro-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-7-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156847853
1-[4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]-6-[3-methyl-4-(methylideneamino)phenyl]quinolin-3-yl]ethanone
CID 123270339

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide (CID 145305825) is N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide is CC(=O)N(c1c(C)cnc2ccc(-c3ccc(N4CC(N(C)C)C4)nc3)cc12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide?
The InChIKey is RWSGSOQVBHYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-18-14-28-25-11-9-20(13-24(25)27(18)32(19(2)33)22-7-5-6-8-22)21-10-12-26(29-15-21)31-16-23(17-31)30(3)4/h9-15,22-23H,5-8,16-17H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide?
N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide has a molecular weight of 443.60 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide is sourced from PubChem (CID 145305825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).