N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine

C20H20N4 — CID 155673373

IUPACN-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc3c(c2)cc(C)n3C)c2ccccc2n1
InChIInChI=1S/C20H20N4/c1-13-11-15-12-16(9-10-19(15)23(13)3)24(4)20-17-7-5-6-8-18(17)21-14(2)22-20/h5-12H,1-4H3
InChIKeyPMMMPEWURBWJPO-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.51
Rot. Bonds2

About N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine

N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine (PubChem CID 155673373) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine
PubChem CID155673373
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc3c(c2)cc(C)n3C)c2ccccc2n1
InChIInChI=1S/C20H20N4/c1-13-11-15-12-16(9-10-19(15)23(13)3)24(4)20-17-7-5-6-8-18(17)21-14(2)22-20/h5-12H,1-4H3
InChIKeyPMMMPEWURBWJPO-UHFFFAOYSA-N
XLogP4.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine (CID 155673373) is N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine is Cc1nc(N(C)c2ccc3c(c2)cc(C)n3C)c2ccccc2n1.
What is the InChIKey of N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is PMMMPEWURBWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-11-15-12-16(9-10-19(15)23(13)3)24(4)20-17-7-5-6-8-18(17)21-14(2)22-20/h5-12H,1-4H3.
What are the key properties of N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine?
N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 155673373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).