5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine

C20H15Cl2N5O — CID 54127146

IUPAC5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3OCc3ccccn3)ccc2n1
InChIInChI=1S/C20H15Cl2N5O/c21-11-4-7-16(28-10-12-3-1-2-8-25-12)14(9-11)13-5-6-15-17(18(13)22)19(23)27-20(24)26-15/h1-9H,10H2,(H4,23,24,26,27)
InChIKeyNRTSBIXZLAAFOY-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.74
Rot. Bonds4

About 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine

5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine (PubChem CID 54127146) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine
PubChem CID54127146
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3OCc3ccccn3)ccc2n1
InChIInChI=1S/C20H15Cl2N5O/c21-11-4-7-16(28-10-12-3-1-2-8-25-12)14(9-11)13-5-6-15-17(18(13)22)19(23)27-20(24)26-15/h1-9H,10H2,(H4,23,24,26,27)
InChIKeyNRTSBIXZLAAFOY-UHFFFAOYSA-N
XLogP4.74
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine (CID 54127146) is 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3OCc3ccccn3)ccc2n1.
What is the InChIKey of 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine?
The InChIKey is NRTSBIXZLAAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-11-4-7-16(28-10-12-3-1-2-8-25-12)14(9-11)13-5-6-15-17(18(13)22)19(23)27-20(24)26-15/h1-9H,10H2,(H4,23,24,26,27).
What are the key properties of 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine?
5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine has a molecular weight of 412.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 54127146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).