(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

C23H18N2O3 — CID 66666801

IUPAC(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCc1ccc(COC(=O)c2c3ccccc3n3cc(OCC#N)ccc23)cc1
InChIInChI=1S/C23H18N2O3/c1-16-6-8-17(9-7-16)15-28-23(26)22-19-4-2-3-5-20(19)25-14-18(27-13-12-24)10-11-21(22)25/h2-11,14H,13,15H2,1H3
InChIKeyBCNSRTHSIRTVET-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.66
Rot. Bonds5

About (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666801) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66666801
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCc1ccc(COC(=O)c2c3ccccc3n3cc(OCC#N)ccc23)cc1
InChIInChI=1S/C23H18N2O3/c1-16-6-8-17(9-7-16)15-28-23(26)22-19-4-2-3-5-20(19)25-14-18(27-13-12-24)10-11-21(22)25/h2-11,14H,13,15H2,1H3
InChIKeyBCNSRTHSIRTVET-UHFFFAOYSA-N
XLogP4.66
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (CID 66666801) is (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is Cc1ccc(COC(=O)c2c3ccccc3n3cc(OCC#N)ccc23)cc1.
What is the InChIKey of (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is BCNSRTHSIRTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-16-6-8-17(9-7-16)15-28-23(26)22-19-4-2-3-5-20(19)25-14-18(27-13-12-24)10-11-21(22)25/h2-11,14H,13,15H2,1H3.
What are the key properties of (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).