(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C19H15ClN2O — CID 27102476

IUPAC(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1
InChIInChI=1S/C19H15ClN2O/c1-12-2-4-13(5-3-12)10-14-8-9-22-18(14)21-17-7-6-15(20)11-16(17)19(22)23/h2-7,10-11H,8-9H2,1H3/b14-10+
InChIKeyFSTWIFDINJWZLH-GXDHUFHOSA-N
MW322.80 g/mol
LogP4.30
Rot. Bonds1

About (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 27102476) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID27102476
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1
InChIInChI=1S/C19H15ClN2O/c1-12-2-4-13(5-3-12)10-14-8-9-22-18(14)21-17-7-6-15(20)11-16(17)19(22)23/h2-7,10-11H,8-9H2,1H3/b14-10+
InChIKeyFSTWIFDINJWZLH-GXDHUFHOSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 27102476) is (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is Cc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1.
What is the InChIKey of (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is FSTWIFDINJWZLH-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-12-2-4-13(5-3-12)10-14-8-9-22-18(14)21-17-7-6-15(20)11-16(17)19(22)23/h2-7,10-11H,8-9H2,1H3/b14-10+.
What are the key properties of (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 322.80 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 27102476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).