(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H21ClN4O2 — CID 169102294

IUPAC(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(Cl)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C21H21ClN4O2/c1-3-26(10-15-6-5-14(22)9-24-15)21(27)13-4-7-18-16(8-13)17-11-28-12(2)19(17)20(23)25-18/h4-9,12H,3,10-11H2,1-2H3,(H2,23,25)/t12-/m1/s1
InChIKeyWLYRGUVDOWCVNY-GFCCVEGCSA-N
MW396.88 g/mol
LogP4.12
Rot. Bonds4

About (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 169102294) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID169102294
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(Cl)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C21H21ClN4O2/c1-3-26(10-15-6-5-14(22)9-24-15)21(27)13-4-7-18-16(8-13)17-11-28-12(2)19(17)20(23)25-18/h4-9,12H,3,10-11H2,1-2H3,(H2,23,25)/t12-/m1/s1
InChIKeyWLYRGUVDOWCVNY-GFCCVEGCSA-N
XLogP4.12
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 174220402
(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382630
4-amino-N-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679
(3S)-4-amino-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383200
(3R)-4-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383364
(3S)-4-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382821
4-amino-N-[(1-cyanocyclopropyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383656
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
(3S)-4-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382633
(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102329
(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175745662

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 169102294) is (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCN(Cc1ccc(Cl)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C.
What is the InChIKey of (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is WLYRGUVDOWCVNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-26(10-15-6-5-14(22)9-24-15)21(27)13-4-7-18-16(8-13)17-11-28-12(2)19(17)20(23)25-18/h4-9,12H,3,10-11H2,1-2H3,(H2,23,25)/t12-/m1/s1.
What are the key properties of (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 169102294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).