methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide

C20H22N4O2 — CID 177001630

IUPACmethanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCO.O=C(Nc1cccc2cccnc12)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C19H18N4O.CH4O/c24-19(17-13-15(8-10-20-17)23-11-1-2-12-23)22-16-7-3-5-14-6-4-9-21-18(14)16;1-2/h3-10,13H,1-2,11-12H2,(H,22,24);2H,1H3
InChIKeyNGAKSXVWRDXBLU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds3

About methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide

methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 177001630) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Namemethanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID177001630
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Namemethanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCO.O=C(Nc1cccc2cccnc12)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C19H18N4O.CH4O/c24-19(17-13-15(8-10-20-17)23-11-1-2-12-23)22-16-7-3-5-14-6-4-9-21-18(14)16;1-2/h3-10,13H,1-2,11-12H2,(H,22,24);2H,1H3
InChIKeyNGAKSXVWRDXBLU-UHFFFAOYSA-N
XLogP3.09
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
4-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218076
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715

Frequently Asked Questions

What is the IUPAC name of methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide (CID 177001630) is methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide is CO.O=C(Nc1cccc2cccnc12)c1cc(N2CCCC2)ccn1.
What is the InChIKey of methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is NGAKSXVWRDXBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.CH4O/c24-19(17-13-15(8-10-20-17)23-11-1-2-12-23)22-16-7-3-5-14-6-4-9-21-18(14)16;1-2/h3-10,13H,1-2,11-12H2,(H,22,24);2H,1H3.
What are the key properties of methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide?
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 177001630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).