(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol

C29H26ClN5O2 — CID 74222906

IUPAC(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
SMILESCn1cncc1C(O)(c1ccncc1)c1ccc2nc(N3CCOCC3)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C29H26ClN5O2/c1-34-19-32-18-25(34)29(36,21-9-11-31-12-10-21)22-7-8-24-23(17-22)27(30)26(20-5-3-2-4-6-20)28(33-24)35-13-15-37-16-14-35/h2-12,17-19,36H,13-16H2,1H3
InChIKeyPHBKZUGIDFXVQB-UHFFFAOYSA-N
MW512.01 g/mol
LogP4.80
Rot. Bonds5

About (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol

(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol (PubChem CID 74222906) has the molecular formula C29H26ClN5O2 and a molecular weight of 512.01 g/mol. Its IUPAC name is (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
PubChem CID74222906
Molecular FormulaC29H26ClN5O2
Molecular Weight512.01 g/mol
Exact Mass511.18
IUPAC Name(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
SMILESCn1cncc1C(O)(c1ccncc1)c1ccc2nc(N3CCOCC3)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C29H26ClN5O2/c1-34-19-32-18-25(34)29(36,21-9-11-31-12-10-21)22-7-8-24-23(17-22)27(30)26(20-5-3-2-4-6-20)28(33-24)35-13-15-37-16-14-35/h2-12,17-19,36H,13-16H2,1H3
InChIKeyPHBKZUGIDFXVQB-UHFFFAOYSA-N
XLogP4.80
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.01
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The IUPAC name of (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol (CID 74222906) is (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol is Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(N3CCOCC3)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The InChIKey is PHBKZUGIDFXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O2/c1-34-19-32-18-25(34)29(36,21-9-11-31-12-10-21)22-7-8-24-23(17-22)27(30)26(20-5-3-2-4-6-20)28(33-24)35-13-15-37-16-14-35/h2-12,17-19,36H,13-16H2,1H3.
What are the key properties of (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
(4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol has a molecular weight of 512.01 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-morpholin-4-yl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 74222906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).