5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine

C16H15ClN4O — CID 24778299

IUPAC5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESC[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1
InChIKeyIDHINEMSCUFEIP-VIFPVBQESA-N
MW314.78 g/mol
LogP3.59
Rot. Bonds3

About 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine

5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine (PubChem CID 24778299) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
PubChem CID24778299
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESC[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1
InChIKeyIDHINEMSCUFEIP-VIFPVBQESA-N
XLogP3.59
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine (CID 24778299) is 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine is C[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1.
What is the InChIKey of 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine?
The InChIKey is IDHINEMSCUFEIP-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine?
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine has a molecular weight of 314.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 24778299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).