[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C27H32N4O3 — CID 71253254

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H32N4O3/c1-18-5-3-7-22(27(32)31-10-4-6-21(31)17-33-2)25(18)19-8-9-23-20(15-19)16-24(26(28)29-23)30-11-13-34-14-12-30/h3,5,7-9,15-16,21H,4,6,10-14,17H2,1-2H3,(H2,28,29)
InChIKeyOSAASJCWVKPSPP-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.88
Rot. Bonds5

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 71253254) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID71253254
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H32N4O3/c1-18-5-3-7-22(27(32)31-10-4-6-21(31)17-33-2)25(18)19-8-9-23-20(15-19)16-24(26(28)29-23)30-11-13-34-14-12-30/h3,5,7-9,15-16,21H,4,6,10-14,17H2,1-2H3,(H2,28,29)
InChIKeyOSAASJCWVKPSPP-UHFFFAOYSA-N
XLogP3.88
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 71253221
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329890
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 53329177
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 53329716
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,6-dimethylpiperidine-1-carbaldehyde
CID 90309269
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-4-methylpiperidine-1-carbaldehyde
CID 90309355
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 71253254) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1cccc(C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OSAASJCWVKPSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-18-5-3-7-22(27(32)31-10-4-6-21(31)17-33-2)25(18)19-8-9-23-20(15-19)16-24(26(28)29-23)30-11-13-34-14-12-30/h3,5,7-9,15-16,21H,4,6,10-14,17H2,1-2H3,(H2,28,29).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 460.58 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71253254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).