N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine

C18H17N5 — CID 155673372

IUPACN,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
SMILESCc1nc(N(C)c2cnc3c(ccn3C)c2)c2ccccc2n1
InChIInChI=1S/C18H17N5/c1-12-20-16-7-5-4-6-15(16)18(21-12)23(3)14-10-13-8-9-22(2)17(13)19-11-14/h4-11H,1-3H3
InChIKeyLUCDSTIWJPVSAK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.59
Rot. Bonds2

About N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine

N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine (PubChem CID 155673372) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
PubChem CID155673372
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
SMILESCc1nc(N(C)c2cnc3c(ccn3C)c2)c2ccccc2n1
InChIInChI=1S/C18H17N5/c1-12-20-16-7-5-4-6-15(16)18(21-12)23(3)14-10-13-8-9-22(2)17(13)19-11-14/h4-11H,1-3H3
InChIKeyLUCDSTIWJPVSAK-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine (CID 155673372) is N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine is Cc1nc(N(C)c2cnc3c(ccn3C)c2)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The InChIKey is LUCDSTIWJPVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-20-16-7-5-4-6-15(16)18(21-12)23(3)14-10-13-8-9-22(2)17(13)19-11-14/h4-11H,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine is sourced from PubChem (CID 155673372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).