6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile

C20H13N5O — CID 155924512

IUPAC6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)nc1
InChIInChI=1S/C20H13N5O/c21-11-14-5-10-19(22-12-14)26-16-8-6-15(7-9-16)25-20-17-3-1-2-4-18(17)23-13-24-20/h1-10,12-13H,(H,23,24,25)
InChIKeySVLJYFNBTAIKRQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.43
Rot. Bonds4

About 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile

6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile (PubChem CID 155924512) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile
PubChem CID155924512
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)nc1
InChIInChI=1S/C20H13N5O/c21-11-14-5-10-19(22-12-14)26-16-8-6-15(7-9-16)25-20-17-3-1-2-4-18(17)23-13-24-20/h1-10,12-13H,(H,23,24,25)
InChIKeySVLJYFNBTAIKRQ-UHFFFAOYSA-N
XLogP4.43
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile (CID 155924512) is 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile is N#Cc1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)nc1.
What is the InChIKey of 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile?
The InChIKey is SVLJYFNBTAIKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-11-14-5-10-19(22-12-14)26-16-8-6-15(7-9-16)25-20-17-3-1-2-4-18(17)23-13-24-20/h1-10,12-13H,(H,23,24,25).
What are the key properties of 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile?
6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(quinazolin-4-ylamino)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 155924512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).