2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol

C14H22N4O — CID 14552480

IUPAC2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
SMILESCCCN1CCC(O)C2Cc3nc(N)ncc3CC21
InChIInChI=1S/C14H22N4O/c1-2-4-18-5-3-13(19)10-7-11-9(6-12(10)18)8-16-14(15)17-11/h8,10,12-13,19H,2-7H2,1H3,(H2,15,16,17)
InChIKeyRJCQCDVGTJTOQD-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.62
Rot. Bonds2

About 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol

2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol (PubChem CID 14552480) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol.

Molecular Properties

Compound Name2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
PubChem CID14552480
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
SMILESCCCN1CCC(O)C2Cc3nc(N)ncc3CC21
InChIInChI=1S/C14H22N4O/c1-2-4-18-5-3-13(19)10-7-11-9(6-12(10)18)8-16-14(15)17-11/h8,10,12-13,19H,2-7H2,1H3,(H2,15,16,17)
InChIKeyRJCQCDVGTJTOQD-UHFFFAOYSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol?
The IUPAC name of 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol (CID 14552480) is 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol.
What is the SMILES notation for 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol?
The canonical SMILES for 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol is CCCN1CCC(O)C2Cc3nc(N)ncc3CC21.
What is the InChIKey of 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol?
The InChIKey is RJCQCDVGTJTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-4-18-5-3-13(19)10-7-11-9(6-12(10)18)8-16-14(15)17-11/h8,10,12-13,19H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol?
2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol has a molecular weight of 262.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol is sourced from PubChem (CID 14552480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).