7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

C17H14ClN5 — CID 44534057

IUPAC7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)
InChIKeyIKTNEAXAJOAXRM-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.45
Rot. Bonds2

About 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44534057) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44534057
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)
InChIKeyIKTNEAXAJOAXRM-UHFFFAOYSA-N
XLogP3.45
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44534057) is 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is IKTNEAXAJOAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22).
What are the key properties of 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 323.79 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44534057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).