[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride

C20H21Cl2N3O2 — CID 67247174

IUPAC[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
SMILESCl.OCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1
InChIInChI=1S/C20H20ClN3O2.ClH/c21-15-1-3-17-18(5-6-22-19(17)12-15)23-16-2-4-20(14(11-16)13-25)24-7-9-26-10-8-24;/h1-6,11-12,25H,7-10,13H2,(H,22,23);1H
InChIKeySMCIUFVTNPDHJA-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.38
Rot. Bonds4

About [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride

[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride (PubChem CID 67247174) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
PubChem CID67247174
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
SMILESCl.OCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1
InChIInChI=1S/C20H20ClN3O2.ClH/c21-15-1-3-17-18(5-6-22-19(17)12-15)23-16-2-4-20(14(11-16)13-25)24-7-9-26-10-8-24;/h1-6,11-12,25H,7-10,13H2,(H,22,23);1H
InChIKeySMCIUFVTNPDHJA-UHFFFAOYSA-N
XLogP4.38
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 53250975
7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
CID 71717162
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 24774969
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
CID 635250

Frequently Asked Questions

What is the IUPAC name of [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride?
The IUPAC name of [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride (CID 67247174) is [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride.
What is the SMILES notation for [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride?
The canonical SMILES for [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride is Cl.OCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1.
What is the InChIKey of [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride?
The InChIKey is SMCIUFVTNPDHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2.ClH/c21-15-1-3-17-18(5-6-22-19(17)12-15)23-16-2-4-20(14(11-16)13-25)24-7-9-26-10-8-24;/h1-6,11-12,25H,7-10,13H2,(H,22,23);1H.
What are the key properties of [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride?
[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride has a molecular weight of 406.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride is sourced from PubChem (CID 67247174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).