8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine

C23H16Cl2N4 — CID 170795337

IUPAC8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccc(Cl)cc2)n1)c1nc2cccn2c2cc(Cl)ccc12
InChIInChI=1S/C23H16Cl2N4/c1-28(21-5-2-4-19(26-21)15-7-9-16(24)10-8-15)23-18-12-11-17(25)14-20(18)29-13-3-6-22(29)27-23/h2-14H,1H3
InChIKeyFEDYURPEXFUEIO-UHFFFAOYSA-N
MW419.32 g/mol
LogP6.62
Rot. Bonds3

About 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine

8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine (PubChem CID 170795337) has the molecular formula C23H16Cl2N4 and a molecular weight of 419.32 g/mol. Its IUPAC name is 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine
PubChem CID170795337
Molecular FormulaC23H16Cl2N4
Molecular Weight419.32 g/mol
Exact Mass418.08
IUPAC Name8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccc(Cl)cc2)n1)c1nc2cccn2c2cc(Cl)ccc12
InChIInChI=1S/C23H16Cl2N4/c1-28(21-5-2-4-19(26-21)15-7-9-16(24)10-8-15)23-18-12-11-17(25)14-20(18)29-13-3-6-22(29)27-23/h2-14H,1H3
InChIKeyFEDYURPEXFUEIO-UHFFFAOYSA-N
XLogP6.62
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine?
The IUPAC name of 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine (CID 170795337) is 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine?
The canonical SMILES for 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine is CN(c1cccc(-c2ccc(Cl)cc2)n1)c1nc2cccn2c2cc(Cl)ccc12.
What is the InChIKey of 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine?
The InChIKey is FEDYURPEXFUEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4/c1-28(21-5-2-4-19(26-21)15-7-9-16(24)10-8-15)23-18-12-11-17(25)14-20(18)29-13-3-6-22(29)27-23/h2-14H,1H3.
What are the key properties of 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine?
8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine has a molecular weight of 419.32 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[6-(4-chlorophenyl)-2-pyridinyl]-N-methylpyrrolo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 170795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).