(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline

C25H20Cl2N2 — CID 102099862

IUPAC(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline
SMILESClc1ccc(/C=C2\CCCC3=C2N=C2C=CC=CN2C3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20Cl2N2/c26-20-11-7-17(8-12-20)16-19-4-3-5-22-24(19)28-23-6-1-2-15-29(23)25(22)18-9-13-21(27)14-10-18/h1-2,6-16,25H,3-5H2/b19-16+
InChIKeyVFUYVGKWDMBJAO-KNTRCKAVSA-N
MW419.36 g/mol
LogP7.35
Rot. Bonds2

About (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline

(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline (PubChem CID 102099862) has the molecular formula C25H20Cl2N2 and a molecular weight of 419.36 g/mol. Its IUPAC name is (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline
PubChem CID102099862
Molecular FormulaC25H20Cl2N2
Molecular Weight419.36 g/mol
Exact Mass418.10
IUPAC Name(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline
SMILESClc1ccc(/C=C2\CCCC3=C2N=C2C=CC=CN2C3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20Cl2N2/c26-20-11-7-17(8-12-20)16-19-4-3-5-22-24(19)28-23-6-1-2-15-29(23)25(22)18-9-13-21(27)14-10-18/h1-2,6-16,25H,3-5H2/b19-16+
InChIKeyVFUYVGKWDMBJAO-KNTRCKAVSA-N
XLogP7.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.36
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 4301906
(2E,9Z)-2-benzylidene-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408833
(2E,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 51370495
(2E,9Z)-2-[(4-chlorophenyl)methylidene]-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408865
(9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(3-nitrophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 6512787
(2E,5S,9Z)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-2-[(3-nitrophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 98420812
(2E,9Z)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-2-[(3-nitrophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408786
3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 3773605
(2E,9E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 171975801
(2E,5R,9E)-9-benzylidene-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 9497805
(5R,9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 2323604
(4S)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
CID 6959491

Frequently Asked Questions

What is the IUPAC name of (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline?
The IUPAC name of (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline (CID 102099862) is (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline.
What is the SMILES notation for (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline?
The canonical SMILES for (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline is Clc1ccc(/C=C2\CCCC3=C2N=C2C=CC=CN2C3c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline?
The InChIKey is VFUYVGKWDMBJAO-KNTRCKAVSA-N. The full InChI is InChI=1S/C25H20Cl2N2/c26-20-11-7-17(8-12-20)16-19-4-3-5-22-24(19)28-23-6-1-2-15-29(23)25(22)18-9-13-21(27)14-10-18/h1-2,6-16,25H,3-5H2/b19-16+.
What are the key properties of (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline?
(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline has a molecular weight of 419.36 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline is sourced from PubChem (CID 102099862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).