[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone

C29H32ClN3O3 — CID 66715921

IUPAC[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCOCC2)CC1)C1CC1
InChIInChI=1S/C29H32ClN3O3/c30-25-16-22(4-6-27(25)34)21-3-5-26-23(15-21)28(24(17-31-26)29(35)20-1-2-20)33-9-7-19(8-10-33)18-32-11-13-36-14-12-32/h3-6,15-17,19-20,34H,1-2,7-14,18H2
InChIKeyMALPONILHDQNAC-UHFFFAOYSA-N
MW506.05 g/mol
LogP5.40
Rot. Bonds6

About [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone

[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone (PubChem CID 66715921) has the molecular formula C29H32ClN3O3 and a molecular weight of 506.05 g/mol. Its IUPAC name is [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone
PubChem CID66715921
Molecular FormulaC29H32ClN3O3
Molecular Weight506.05 g/mol
Exact Mass505.21
IUPAC Name[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCOCC2)CC1)C1CC1
InChIInChI=1S/C29H32ClN3O3/c30-25-16-22(4-6-27(25)34)21-3-5-26-23(15-21)28(24(17-31-26)29(35)20-1-2-20)33-9-7-19(8-10-33)18-32-11-13-36-14-12-32/h3-6,15-17,19-20,34H,1-2,7-14,18H2
InChIKeyMALPONILHDQNAC-UHFFFAOYSA-N
XLogP5.40
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.05
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone (CID 66715921) is [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCOCC2)CC1)C1CC1.
What is the InChIKey of [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone?
The InChIKey is MALPONILHDQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O3/c30-25-16-22(4-6-27(25)34)21-3-5-26-23(15-21)28(24(17-31-26)29(35)20-1-2-20)33-9-7-19(8-10-33)18-32-11-13-36-14-12-32/h3-6,15-17,19-20,34H,1-2,7-14,18H2.
What are the key properties of [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone?
[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone has a molecular weight of 506.05 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 66715921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).