N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine

C17H17ClN4O — CID 24860253

IUPACN'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(NCCN)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H17ClN4O/c1-23-15-5-3-2-4-12(15)17-21-14-7-6-11(18)10-13(14)16(22-17)20-9-8-19/h2-7,10H,8-9,19H2,1H3,(H,20,21,22)
InChIKeyLJGVWRSRZRHUAW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.33
Rot. Bonds5

About N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine

N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine (PubChem CID 24860253) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
PubChem CID24860253
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(NCCN)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H17ClN4O/c1-23-15-5-3-2-4-12(15)17-21-14-7-6-11(18)10-13(14)16(22-17)20-9-8-19/h2-7,10H,8-9,19H2,1H3,(H,20,21,22)
InChIKeyLJGVWRSRZRHUAW-UHFFFAOYSA-N
XLogP3.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine (CID 24860253) is N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine is COc1ccccc1-c1nc(NCCN)c2cc(Cl)ccc2n1.
What is the InChIKey of N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is LJGVWRSRZRHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-23-15-5-3-2-4-12(15)17-21-14-7-6-11(18)10-13(14)16(22-17)20-9-8-19/h2-7,10H,8-9,19H2,1H3,(H,20,21,22).
What are the key properties of N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine?
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 328.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 24860253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).