2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol

C31H32ClN3O3 — CID 118658942

IUPAC2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol
SMILESCOc1cc(-c2ccc3ncc(CC4CC4)c(Nc4ccc(CN5CCOCC5)cc4)c3c2)cc(Cl)c1O
InChIInChI=1S/C31H32ClN3O3/c1-37-29-17-23(16-27(32)31(29)36)22-6-9-28-26(15-22)30(24(18-33-28)14-20-2-3-20)34-25-7-4-21(5-8-25)19-35-10-12-38-13-11-35/h4-9,15-18,20,36H,2-3,10-14,19H2,1H3,(H,33,34)
InChIKeyUHPLAKKDUSKSSH-UHFFFAOYSA-N
MW530.07 g/mol
LogP6.80
Rot. Bonds8

About 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol

2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol (PubChem CID 118658942) has the molecular formula C31H32ClN3O3 and a molecular weight of 530.07 g/mol. Its IUPAC name is 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol
PubChem CID118658942
Molecular FormulaC31H32ClN3O3
Molecular Weight530.07 g/mol
Exact Mass529.21
IUPAC Name2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol
SMILESCOc1cc(-c2ccc3ncc(CC4CC4)c(Nc4ccc(CN5CCOCC5)cc4)c3c2)cc(Cl)c1O
InChIInChI=1S/C31H32ClN3O3/c1-37-29-17-23(16-27(32)31(29)36)22-6-9-28-26(15-22)30(24(18-33-28)14-20-2-3-20)34-25-7-4-21(5-8-25)19-35-10-12-38-13-11-35/h4-9,15-18,20,36H,2-3,10-14,19H2,1H3,(H,33,34)
InChIKeyUHPLAKKDUSKSSH-UHFFFAOYSA-N
XLogP6.80
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol with MolForge

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Related Compounds

2,6-dichloro-4-[3-(cyclopropylmethyl)-4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]phenol
CID 118659041
2-chloro-4-[4-[4-[(dimethylamino)methyl]anilino]-3-methylsulfonylquinolin-6-yl]-6-methoxyphenol
CID 66715947
4-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]butan-2-one
CID 123768681
[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[3-[(dimethylamino)methyl]anilino]quinolin-3-yl]-cyclopropylmethanone
CID 66715804
4-[[3-acetyl-6-(3-chloro-4-hydroxy-5-methoxyphenyl)quinolin-4-yl]amino]benzamide
CID 66715099
2,4-bis[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinolin-3-yl]pentan-3-one
CID 175278654
1-[6-(3,5-dichlorophenyl)-4-[4-(piperazin-1-ylmethyl)anilino]quinolin-3-yl]ethanone
CID 118671328
1-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[4-[(dimethylamino)methyl]piperidin-1-yl]quinolin-3-yl]-2-methylpropan-1-one
CID 66715306
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
CID 174683063
2-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]acetaldehyde
CID 87121052
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]ethanone
CID 148973669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol (CID 118658942) is 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol is COc1cc(-c2ccc3ncc(CC4CC4)c(Nc4ccc(CN5CCOCC5)cc4)c3c2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol?
The InChIKey is UHPLAKKDUSKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O3/c1-37-29-17-23(16-27(32)31(29)36)22-6-9-28-26(15-22)30(24(18-33-28)14-20-2-3-20)34-25-7-4-21(5-8-25)19-35-10-12-38-13-11-35/h4-9,15-18,20,36H,2-3,10-14,19H2,1H3,(H,33,34).
What are the key properties of 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol?
2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol has a molecular weight of 530.07 g/mol, XLogP of 6.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol is sourced from PubChem (CID 118658942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).