7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine

C18H19ClN4O — CID 168957193

IUPAC7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
SMILESCCNc1ncnc2cc(Cl)cc(NCc3ccc(OC)cc3)c12
InChIInChI=1S/C18H19ClN4O/c1-3-20-18-17-15(8-13(19)9-16(17)22-11-23-18)21-10-12-4-6-14(24-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H,20,22,23)
InChIKeyRFVBFCVXCOXEBE-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.34
Rot. Bonds6

About 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine

7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine (PubChem CID 168957193) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine.

Molecular Properties

Compound Name7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
PubChem CID168957193
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
SMILESCCNc1ncnc2cc(Cl)cc(NCc3ccc(OC)cc3)c12
InChIInChI=1S/C18H19ClN4O/c1-3-20-18-17-15(8-13(19)9-16(17)22-11-23-18)21-10-12-4-6-14(24-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H,20,22,23)
InChIKeyRFVBFCVXCOXEBE-UHFFFAOYSA-N
XLogP4.34
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
CID 168957326
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118129224
N-[(4-methoxyphenyl)methyl]-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135818954
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
6-chloro-8-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 168957431
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The IUPAC name of 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine (CID 168957193) is 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine.
What is the SMILES notation for 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The canonical SMILES for 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine is CCNc1ncnc2cc(Cl)cc(NCc3ccc(OC)cc3)c12.
What is the InChIKey of 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
The InChIKey is RFVBFCVXCOXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-3-20-18-17-15(8-13(19)9-16(17)22-11-23-18)21-10-12-4-6-14(24-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H,20,22,23).
What are the key properties of 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine?
7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine has a molecular weight of 342.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine is sourced from PubChem (CID 168957193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).