2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline

C20H17N3 — CID 118444689

IUPAC2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1nc(C)nc2ccccc12
InChIInChI=1S/C20H17N3/c1-13(15-8-9-19-16(12-15)10-11-23(19)3)20-17-6-4-5-7-18(17)21-14(2)22-20/h4-12H,1H2,2-3H3
InChIKeyIQPWVADTABKDJF-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.49
Rot. Bonds2

About 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline

2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline (PubChem CID 118444689) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
PubChem CID118444689
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1nc(C)nc2ccccc12
InChIInChI=1S/C20H17N3/c1-13(15-8-9-19-16(12-15)10-11-23(19)3)20-17-6-4-5-7-18(17)21-14(2)22-20/h4-12H,1H2,2-3H3
InChIKeyIQPWVADTABKDJF-UHFFFAOYSA-N
XLogP4.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline?
The IUPAC name of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline (CID 118444689) is 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline.
What is the SMILES notation for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline?
The canonical SMILES for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline is C=C(c1ccc2c(ccn2C)c1)c1nc(C)nc2ccccc12.
What is the InChIKey of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline?
The InChIKey is IQPWVADTABKDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-13(15-8-9-19-16(12-15)10-11-23(19)3)20-17-6-4-5-7-18(17)21-14(2)22-20/h4-12H,1H2,2-3H3.
What are the key properties of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline?
2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline has a molecular weight of 299.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline is sourced from PubChem (CID 118444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).