N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide

C20H25N3O2 — CID 91456633

IUPACN-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C20H25N3O2/c1-13-10-19(23-9-3-4-16(23)12-25-2)17-8-7-15(11-18(17)21-13)22-20(24)14-5-6-14/h7-8,10-11,14,16H,3-6,9,12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyNSMBHSBPIXQKEZ-INIZCTEOSA-N
MW339.44 g/mol
LogP3.51
Rot. Bonds5

About N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide

N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide (PubChem CID 91456633) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
PubChem CID91456633
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C20H25N3O2/c1-13-10-19(23-9-3-4-16(23)12-25-2)17-8-7-15(11-18(17)21-13)22-20(24)14-5-6-14/h7-8,10-11,14,16H,3-6,9,12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyNSMBHSBPIXQKEZ-INIZCTEOSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
CID 69283414
4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide
CID 23433970
7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 22641299
4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide
CID 174465207
N-[2-methyl-5-(pyrrolidine-1-carbonyl)quinolin-7-yl]cyclopropanecarboxamide
CID 53137966
N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 53137967
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
CID 90488075
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 23433978
4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
CID 23433948
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide (CID 91456633) is N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide is COC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)C3CC3)ccc12.
What is the InChIKey of N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The InChIKey is NSMBHSBPIXQKEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-10-19(23-9-3-4-16(23)12-25-2)17-8-7-15(11-18(17)21-13)22-20(24)14-5-6-14/h7-8,10-11,14,16H,3-6,9,12H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide?
N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91456633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).