2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine

C20H24ClN5 — CID 12703241

IUPAC2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
SMILESCCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H24ClN5/c1-3-26(4-2)14-13-22-19-17-7-5-6-8-18(17)24-20(25-19)23-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,25)
InChIKeyLIRUMJIZIIVMRD-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.78
Rot. Bonds8

About 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine

2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine (PubChem CID 12703241) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
PubChem CID12703241
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
SMILESCCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H24ClN5/c1-3-26(4-2)14-13-22-19-17-7-5-6-8-18(17)24-20(25-19)23-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,25)
InChIKeyLIRUMJIZIIVMRD-UHFFFAOYSA-N
XLogP4.78
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
9-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
CID 44574760
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
CID 91441465
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
CID 91963933

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine (CID 12703241) is 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine is CCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine?
The InChIKey is LIRUMJIZIIVMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-3-26(4-2)14-13-22-19-17-7-5-6-8-18(17)24-20(25-19)23-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine has a molecular weight of 369.90 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 12703241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).