2-pentyl-7H-pyrrolo[2,3-h]quinazoline

C15H17N3 — CID 68572299

IUPAC2-pentyl-7H-pyrrolo[2,3-h]quinazoline
SMILESCCCCCc1ncc2ccc3[nH]ccc3c2n1
InChIInChI=1S/C15H17N3/c1-2-3-4-5-14-17-10-11-6-7-13-12(8-9-16-13)15(11)18-14/h6-10,16H,2-5H2,1H3
InChIKeyGJJMGPBPOLKTAN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.84
Rot. Bonds4

About 2-pentyl-7H-pyrrolo[2,3-h]quinazoline

2-pentyl-7H-pyrrolo[2,3-h]quinazoline (PubChem CID 68572299) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-pentyl-7H-pyrrolo[2,3-h]quinazoline.

Molecular Properties

Compound Name2-pentyl-7H-pyrrolo[2,3-h]quinazoline
PubChem CID68572299
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-pentyl-7H-pyrrolo[2,3-h]quinazoline
SMILESCCCCCc1ncc2ccc3[nH]ccc3c2n1
InChIInChI=1S/C15H17N3/c1-2-3-4-5-14-17-10-11-6-7-13-12(8-9-16-13)15(11)18-14/h6-10,16H,2-5H2,1H3
InChIKeyGJJMGPBPOLKTAN-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175827210
2-pentylpyrido[2,3-d]pyrimidin-7-amine
CID 67700184
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
7H-pyrrolo[2,3-h]isoquinoline
CID 86733878
heptane;1H-indole
CID 162212083
5-bromo-2-hexylpyrimidine
CID 122446219
2,3-dihexadecyl-1H-pyrrole
CID 175695832
5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
CID 175181341
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane
CID 143996338
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-7H-pyrrolo[2,3-h]quinazoline?
The IUPAC name of 2-pentyl-7H-pyrrolo[2,3-h]quinazoline (CID 68572299) is 2-pentyl-7H-pyrrolo[2,3-h]quinazoline.
What is the SMILES notation for 2-pentyl-7H-pyrrolo[2,3-h]quinazoline?
The canonical SMILES for 2-pentyl-7H-pyrrolo[2,3-h]quinazoline is CCCCCc1ncc2ccc3[nH]ccc3c2n1.
What is the InChIKey of 2-pentyl-7H-pyrrolo[2,3-h]quinazoline?
The InChIKey is GJJMGPBPOLKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-3-4-5-14-17-10-11-6-7-13-12(8-9-16-13)15(11)18-14/h6-10,16H,2-5H2,1H3.
What are the key properties of 2-pentyl-7H-pyrrolo[2,3-h]quinazoline?
2-pentyl-7H-pyrrolo[2,3-h]quinazoline has a molecular weight of 239.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-7H-pyrrolo[2,3-h]quinazoline is sourced from PubChem (CID 68572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).