(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

C14H22N4 — CID 18596256

IUPAC(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21
InChIInChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m0/s1
InChIKeyTUFADSGTJUOBEH-GWCFXTLKSA-N
MW246.36 g/mol
LogP1.65
Rot. Bonds2

About (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (PubChem CID 18596256) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.

Molecular Properties

Compound Name(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
PubChem CID18596256
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21
InChIInChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m0/s1
InChIKeyTUFADSGTJUOBEH-GWCFXTLKSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The IUPAC name of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (CID 18596256) is (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.
What is the SMILES notation for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The canonical SMILES for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is CCCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21.
What is the InChIKey of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The InChIKey is TUFADSGTJUOBEH-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m0/s1.
What are the key properties of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is sourced from PubChem (CID 18596256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).