N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine

C22H19ClN4 — CID 118736578

IUPACN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12
InChIInChI=1S/C22H19ClN4/c23-18-8-5-15(6-9-18)7-10-21-26-20-14-17-4-2-1-3-16(17)13-19(20)22(27-21)25-12-11-24/h1-10,13-14H,11-12,24H2,(H,25,26,27)/b10-7+
InChIKeyOETDTSFVQFMRCJ-JXMROGBWSA-N
MW374.88 g/mol
LogP4.98
Rot. Bonds5

About N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine

N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine (PubChem CID 118736578) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
PubChem CID118736578
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC NameN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12
InChIInChI=1S/C22H19ClN4/c23-18-8-5-15(6-9-18)7-10-21-26-20-14-17-4-2-1-3-16(17)13-19(20)22(27-21)25-12-11-24/h1-10,13-14H,11-12,24H2,(H,25,26,27)/b10-7+
InChIKeyOETDTSFVQFMRCJ-JXMROGBWSA-N
XLogP4.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine (CID 118736578) is N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine is NCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12.
What is the InChIKey of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is OETDTSFVQFMRCJ-JXMROGBWSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-18-8-5-15(6-9-18)7-10-21-26-20-14-17-4-2-1-3-16(17)13-19(20)22(27-21)25-12-11-24/h1-10,13-14H,11-12,24H2,(H,25,26,27)/b10-7+.
What are the key properties of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine?
N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 374.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 118736578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).