4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine

C20H26N4O — CID 68982556

IUPAC4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
SMILESCCCCCc1nc(N2CCOCC2)c2ccc3c(ccn3C)c2n1
InChIInChI=1S/C20H26N4O/c1-3-4-5-6-18-21-19-15-9-10-23(2)17(15)8-7-16(19)20(22-18)24-11-13-25-14-12-24/h7-10H,3-6,11-14H2,1-2H3
InChIKeyXNLAUGPYFACLPU-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.69
Rot. Bonds5

About 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine

4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine (PubChem CID 68982556) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
PubChem CID68982556
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
SMILESCCCCCc1nc(N2CCOCC2)c2ccc3c(ccn3C)c2n1
InChIInChI=1S/C20H26N4O/c1-3-4-5-6-18-21-19-15-9-10-23(2)17(15)8-7-16(19)20(22-18)24-11-13-25-14-12-24/h7-10H,3-6,11-14H2,1-2H3
InChIKeyXNLAUGPYFACLPU-UHFFFAOYSA-N
XLogP3.69
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The IUPAC name of 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine (CID 68982556) is 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The canonical SMILES for 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine is CCCCCc1nc(N2CCOCC2)c2ccc3c(ccn3C)c2n1.
What is the InChIKey of 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The InChIKey is XNLAUGPYFACLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-4-5-6-18-21-19-15-9-10-23(2)17(15)8-7-16(19)20(22-18)24-11-13-25-14-12-24/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine has a molecular weight of 338.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2-pentylpyrrolo[2,3-h]quinazolin-4-yl)morpholine is sourced from PubChem (CID 68982556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).