7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline

C14H21N3 — CID 57007767

IUPAC7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline
SMILESCCCN1CCCC2c3ncncc3CCC21
InChIInChI=1S/C14H21N3/c1-2-7-17-8-3-4-12-13(17)6-5-11-9-15-10-16-14(11)12/h9-10,12-13H,2-8H2,1H3
InChIKeyUJVNWWMPINWYOW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.38
Rot. Bonds2

About 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline

7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline (PubChem CID 57007767) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline.

Molecular Properties

Compound Name7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline
PubChem CID57007767
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline
SMILESCCCN1CCCC2c3ncncc3CCC21
InChIInChI=1S/C14H21N3/c1-2-7-17-8-3-4-12-13(17)6-5-11-9-15-10-16-14(11)12/h9-10,12-13H,2-8H2,1H3
InChIKeyUJVNWWMPINWYOW-UHFFFAOYSA-N
XLogP2.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline?
The IUPAC name of 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline (CID 57007767) is 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline.
What is the SMILES notation for 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline?
The canonical SMILES for 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline is CCCN1CCCC2c3ncncc3CCC21.
What is the InChIKey of 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline?
The InChIKey is UJVNWWMPINWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-7-17-8-3-4-12-13(17)6-5-11-9-15-10-16-14(11)12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline?
7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline has a molecular weight of 231.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline is sourced from PubChem (CID 57007767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).