N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine

C19H19ClN4 — CID 25190632

IUPACN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN)c2c1
InChIInChI=1S/C19H19ClN4/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)/b9-5+
InChIKeyHVSGNYDJYBCMBH-WEVVVXLNSA-N
MW338.84 g/mol
LogP4.13
Rot. Bonds5

About N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine

N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine (PubChem CID 25190632) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine
PubChem CID25190632
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN)c2c1
InChIInChI=1S/C19H19ClN4/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)/b9-5+
InChIKeyHVSGNYDJYBCMBH-WEVVVXLNSA-N
XLogP4.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine (CID 25190632) is N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine is Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN)c2c1.
What is the InChIKey of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is HVSGNYDJYBCMBH-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)/b9-5+.
What are the key properties of N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine?
N'-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.13, 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]-6-methylquinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 25190632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).