7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine

C20H27ClN2O — CID 141123356

IUPAC7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)CC3NCCC(C)C
InChIInChI=1S/C20H27ClN2O/c1-12(2)6-7-22-17-11-20(4,5)24-18-10-14-13(3)8-19(21)23-16(14)9-15(17)18/h8-10,12,17,22H,6-7,11H2,1-5H3
InChIKeyVVLWKEDXLLEFRC-UHFFFAOYSA-N
MW346.90 g/mol
LogP5.43
Rot. Bonds4

About 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine

7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine (PubChem CID 141123356) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine
PubChem CID141123356
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)CC3NCCC(C)C
InChIInChI=1S/C20H27ClN2O/c1-12(2)6-7-22-17-11-20(4,5)24-18-10-14-13(3)8-19(21)23-16(14)9-15(17)18/h8-10,12,17,22H,6-7,11H2,1-5H3
InChIKeyVVLWKEDXLLEFRC-UHFFFAOYSA-N
XLogP5.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine 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

6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
7-chloro-9-methyl-4-(propylamino)spiro[3,4-dihydropyrano[2,3-g]quinoline-2,1'-cyclopentane]-3-ol
CID 45137622
(3R,4S)-7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87450973
7-chloro-4-(1-cyclopentylethylamino)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87323644
(3R,4S)-7-chloro-2,2,9-trimethyl-4-[2-(oxan-4-yl)ethylamino]-3,4-dihydropyrano[2,3-g]quinolin-3-ol;dihydrochloride
CID 87326718
(3S,4S)-7-chloro-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 90831120
(3R,4S)-7-chloro-4-[(2-hydroxy-2-phenylethyl)amino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87450322
7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11553035
(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87449867
(3R,4S)-4-(1,3-benzodioxol-5-ylmethylamino)-7-chloro-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87450426
7-chloro-4-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11647084
N-butyl-6,6-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462091

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine?
The IUPAC name of 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine (CID 141123356) is 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine.
What is the SMILES notation for 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine?
The canonical SMILES for 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine is Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)CC3NCCC(C)C.
What is the InChIKey of 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine?
The InChIKey is VVLWKEDXLLEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-12(2)6-7-22-17-11-20(4,5)24-18-10-14-13(3)8-19(21)23-16(14)9-15(17)18/h8-10,12,17,22H,6-7,11H2,1-5H3.
What are the key properties of 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine?
7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine has a molecular weight of 346.90 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine is sourced from PubChem (CID 141123356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).