4-(azepan-1-yl)-2-pyridin-4-ylquinazoline

C19H20N4 — CID 877991

IUPAC4-(azepan-1-yl)-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C19H20N4/c1-2-6-14-23(13-5-1)19-16-7-3-4-8-17(16)21-18(22-19)15-9-11-20-12-10-15/h3-4,7-12H,1-2,5-6,13-14H2
InChIKeyYVKYTTQUAYMNOQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.07
Rot. Bonds2

About 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline

4-(azepan-1-yl)-2-pyridin-4-ylquinazoline (PubChem CID 877991) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-pyridin-4-ylquinazoline
PubChem CID877991
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-(azepan-1-yl)-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C19H20N4/c1-2-6-14-23(13-5-1)19-16-7-3-4-8-17(16)21-18(22-19)15-9-11-20-12-10-15/h3-4,7-12H,1-2,5-6,13-14H2
InChIKeyYVKYTTQUAYMNOQ-UHFFFAOYSA-N
XLogP4.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline (CID 877991) is 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline is c1ccc2c(N3CCCCCC3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline?
The InChIKey is YVKYTTQUAYMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-6-14-23(13-5-1)19-16-7-3-4-8-17(16)21-18(22-19)15-9-11-20-12-10-15/h3-4,7-12H,1-2,5-6,13-14H2.
What are the key properties of 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline?
4-(azepan-1-yl)-2-pyridin-4-ylquinazoline has a molecular weight of 304.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 877991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).