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

C14H23ClN4 — CID 21114905

IUPAC(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl
InChIInChI=1S/C14H22N4.ClH/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);1H/t10-,13-;/m1./s1
InChIKeyUYDHDLDHBNHJQJ-HTMVYDOJSA-N
MW282.82 g/mol
LogP2.07
Rot. Bonds2

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

(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride (PubChem CID 21114905) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride
PubChem CID21114905
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride
SMILESCCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl
InChIInChI=1S/C14H22N4.ClH/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);1H/t10-,13-;/m1./s1
InChIKeyUYDHDLDHBNHJQJ-HTMVYDOJSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride?
The IUPAC name of (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride (CID 21114905) is (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride.
What is the SMILES notation for (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride?
The canonical SMILES for (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride is CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl.
What is the InChIKey of (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride?
The InChIKey is UYDHDLDHBNHJQJ-HTMVYDOJSA-N. The full InChI is InChI=1S/C14H22N4.ClH/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);1H/t10-,13-;/m1./s1.
What are the key properties of (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride?
(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 21114905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).