2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine

C18H15ClN4 — CID 149339259

IUPAC2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine
SMILESCN(c1ccc2c(ccn2C)c1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN4/c1-22-10-9-12-11-13(7-8-16(12)22)23(2)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-11H,1-2H3
InChIKeyYDVXTXSJYULUSR-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.54
Rot. Bonds2

About 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine

2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine (PubChem CID 149339259) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine
PubChem CID149339259
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine
SMILESCN(c1ccc2c(ccn2C)c1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN4/c1-22-10-9-12-11-13(7-8-16(12)22)23(2)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-11H,1-2H3
InChIKeyYDVXTXSJYULUSR-UHFFFAOYSA-N
XLogP4.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine (CID 149339259) is 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine is CN(c1ccc2c(ccn2C)c1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine?
The InChIKey is YDVXTXSJYULUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-22-10-9-12-11-13(7-8-16(12)22)23(2)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-11H,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine?
2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine has a molecular weight of 322.80 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 149339259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).