2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol

C20H18ClN3O — CID 146126635

IUPAC2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O/c21-14-5-6-17-19(7-8-22-20(17)10-14)24-15(12-25)9-13-11-23-18-4-2-1-3-16(13)18/h1-8,10-11,15,23,25H,9,12H2,(H,22,24)
InChIKeyBGXCLAQBSCAJGK-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.39
Rot. Bonds5

About 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol

2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol (PubChem CID 146126635) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
PubChem CID146126635
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O/c21-14-5-6-17-19(7-8-22-20(17)10-14)24-15(12-25)9-13-11-23-18-4-2-1-3-16(13)18/h1-8,10-11,15,23,25H,9,12H2,(H,22,24)
InChIKeyBGXCLAQBSCAJGK-UHFFFAOYSA-N
XLogP4.39
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
(2R)-2-[(7-chloroquinolin-4-yl)amino]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl-methylamino]propan-1-ol
CID 71470224
2-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-5-nitrobenzonitrile
CID 95981821
2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 119044814
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
(E)-3-(3,5-dichlorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]prop-2-enamide
CID 155946346
(2R)-2-[[6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]-3-(1H-indol-3-yl)propan-1-ol
CID 67541726
3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
CID 84584832
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol (CID 146126635) is 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol is OCC(Cc1c[nH]c2ccccc12)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol?
The InChIKey is BGXCLAQBSCAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-14-5-6-17-19(7-8-22-20(17)10-14)24-15(12-25)9-13-11-23-18-4-2-1-3-16(13)18/h1-8,10-11,15,23,25H,9,12H2,(H,22,24).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol?
2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol has a molecular weight of 351.84 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 146126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).