(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

C24H27ClN2O2 — CID 87449867

IUPAC(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3NCCCc1ccccc1
InChIInChI=1S/C24H27ClN2O2/c1-15-12-21(25)27-19-13-18-20(14-17(15)19)29-24(2,3)23(28)22(18)26-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,22-23,26,28H,7,10-11H2,1-3H3/t22-,23+/m0/s1
InChIKeyHVQPLDFHLAONCL-XZOQPEGZSA-N
MW410.95 g/mol
LogP4.99
Rot. Bonds5

About (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 87449867) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID87449867
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3NCCCc1ccccc1
InChIInChI=1S/C24H27ClN2O2/c1-15-12-21(25)27-19-13-18-20(14-17(15)19)29-24(2,3)23(28)22(18)26-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,22-23,26,28H,7,10-11H2,1-3H3/t22-,23+/m0/s1
InChIKeyHVQPLDFHLAONCL-XZOQPEGZSA-N
XLogP4.99
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol 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

(3S,4S)-7-chloro-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 90831120
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-4-[(2-hydroxy-2-phenylethyl)amino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87450322
(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
(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
7-chloro-2,2,9-trimethyl-4-[2-(thian-4-yl)ethylamino]-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11567978
(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 143110134
(1S,2R)-8-chloro-3,3-dimethyl-1-(2-phenylethylamino)-1,2-dihydropyrano[3,2-f]quinolin-2-ol
CID 87323460
(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
3-hydroxy-2,2-dimethyl-7-nitro-4-(2-phenylethylamino)-3,4-dihydrochromene-6-carboxylic acid
CID 46179086
7-chloro-2,2,9-trimethyl-N-(3-methylbutyl)-3,4-dihydropyrano[2,3-g]quinolin-4-amine
CID 141123356

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 87449867) is (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3NCCCc1ccccc1.
What is the InChIKey of (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is HVQPLDFHLAONCL-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-15-12-21(25)27-19-13-18-20(14-17(15)19)29-24(2,3)23(28)22(18)26-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,22-23,26,28H,7,10-11H2,1-3H3/t22-,23+/m0/s1.
What are the key properties of (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 410.95 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 87449867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).