3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one

C19H29N3O — CID 3026481

IUPAC3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
SMILESCCCCC(CCCC)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H29N3O/c1-3-5-9-16(10-6-4-2)20-13-14-22-15-21-18-12-8-7-11-17(18)19(22)23/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3
InChIKeyLJZYKGHVGMNMIO-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.74
Rot. Bonds10

About 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one

3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one (PubChem CID 3026481) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
PubChem CID3026481
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
SMILESCCCCC(CCCC)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H29N3O/c1-3-5-9-16(10-6-4-2)20-13-14-22-15-21-18-12-8-7-11-17(18)19(22)23/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3
InChIKeyLJZYKGHVGMNMIO-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one (CID 3026481) is 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one is CCCCC(CCCC)NCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one?
The InChIKey is LJZYKGHVGMNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-5-9-16(10-6-4-2)20-13-14-22-15-21-18-12-8-7-11-17(18)19(22)23/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one?
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one has a molecular weight of 315.46 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 3026481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).