JDQYMOPCYYLDBR-UHFFFAOYSA-N

Name: JDQYMOPCYYLDBR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₀H₂₈ClN₇O₂ — CID 74220881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol

SMILESCOc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1

InChIInChI=1S/C30H28ClN7O2/c1-19-12-21(30(39,25-15-32-17-36(25)2)26-16-33-18-37(26)3)14-23-27(31)24(29(40-4)35-28(19)23)13-20-6-8-22(9-7-20)38-11-5-10-34-38/h5-12,14-18,39H,13H2,1-4H3

InChIKeyJDQYMOPCYYLDBR-UHFFFAOYSA-N

MW554.05 g/mol

LogP4.73

Rot. Bonds7

About JDQYMOPCYYLDBR-UHFFFAOYSA-N

JDQYMOPCYYLDBR-UHFFFAOYSA-N (PubChem CID 74220881) has the molecular formula C₃₀H₂₈ClN₇O₂ and a molecular weight of 554.05 g/mol. Its IUPAC name is [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name	JDQYMOPCYYLDBR-UHFFFAOYSA-N
PubChem CID	74220881
Molecular Formula	C₃₀H₂₈ClN₇O₂
Molecular Weight	554.05 g/mol
Exact Mass	553.20
IUPAC Name	[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
SMILES	COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
InChI	InChI=1S/C30H28ClN7O2/c1-19-12-21(30(39,25-15-32-17-36(25)2)26-16-33-18-37(26)3)14-23-27(31)24(29(40-4)35-28(19)23)13-20-6-8-22(9-7-20)38-11-5-10-34-38/h5-12,14-18,39H,13H2,1-4H3
InChIKey	JDQYMOPCYYLDBR-UHFFFAOYSA-N
XLogP	4.73
TPSA	95.81 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.05
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of JDQYMOPCYYLDBR-UHFFFAOYSA-N?

The IUPAC name of JDQYMOPCYYLDBR-UHFFFAOYSA-N (CID 74220881) is [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for JDQYMOPCYYLDBR-UHFFFAOYSA-N?

The canonical SMILES for JDQYMOPCYYLDBR-UHFFFAOYSA-N is COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of JDQYMOPCYYLDBR-UHFFFAOYSA-N?

The InChIKey is JDQYMOPCYYLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN7O2/c1-19-12-21(30(39,25-15-32-17-36(25)2)26-16-33-18-37(26)3)14-23-27(31)24(29(40-4)35-28(19)23)13-20-6-8-22(9-7-20)38-11-5-10-34-38/h5-12,14-18,39H,13H2,1-4H3.

What are the key properties of JDQYMOPCYYLDBR-UHFFFAOYSA-N?

JDQYMOPCYYLDBR-UHFFFAOYSA-N has a molecular weight of 554.05 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for JDQYMOPCYYLDBR-UHFFFAOYSA-N is sourced from PubChem (CID 74220881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 74220881 — identifiers, structure, computed properties (public domain)

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