2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine

C20H22ClN5O — CID 164613491

IUPAC2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22ClN5O/c21-15-5-7-16(8-6-15)23-20-24-18-4-2-1-3-17(18)19(25-20)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25)
InChIKeyOIYZHBHBHRMCTG-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.77
Rot. Bonds6

About 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine

2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine (PubChem CID 164613491) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
PubChem CID164613491
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22ClN5O/c21-15-5-7-16(8-6-15)23-20-24-18-4-2-1-3-17(18)19(25-20)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25)
InChIKeyOIYZHBHBHRMCTG-UHFFFAOYSA-N
XLogP3.77
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
2-N-(4-methylsulfanylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 12703230
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
N-(2-morpholin-4-ylethyl)-2-[2-(2-morpholin-4-ylethylamino)phenyl]quinazolin-4-amine
CID 59213424
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine (CID 164613491) is 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine is Clc1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
The InChIKey is OIYZHBHBHRMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-15-5-7-16(8-6-15)23-20-24-18-4-2-1-3-17(18)19(25-20)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine has a molecular weight of 383.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164613491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).