N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine

C25H24N6 — CID 57414224

IUPACN-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc4cc(C5=CCNCC5)ccc34)cn2)ccn1
InChIInChI=1S/C25H24N6/c1-17-12-21(8-11-27-17)23-5-2-18(14-28-23)15-29-25-22-4-3-20(13-24(22)30-16-31-25)19-6-9-26-10-7-19/h2-6,8,11-14,16,26H,7,9-10,15H2,1H3,(H,29,30,31)
InChIKeyKOTXLXOSDJWWRY-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.38
Rot. Bonds5

About N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine

N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine (PubChem CID 57414224) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine
PubChem CID57414224
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC NameN-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc4cc(C5=CCNCC5)ccc34)cn2)ccn1
InChIInChI=1S/C25H24N6/c1-17-12-21(8-11-27-17)23-5-2-18(14-28-23)15-29-25-22-4-3-20(13-24(22)30-16-31-25)19-6-9-26-10-7-19/h2-6,8,11-14,16,26H,7,9-10,15H2,1H3,(H,29,30,31)
InChIKeyKOTXLXOSDJWWRY-UHFFFAOYSA-N
XLogP4.38
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine?
The IUPAC name of N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine (CID 57414224) is N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine?
The canonical SMILES for N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine is Cc1cc(-c2ccc(CNc3ncnc4cc(C5=CCNCC5)ccc34)cn2)ccn1.
What is the InChIKey of N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine?
The InChIKey is KOTXLXOSDJWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-17-12-21(8-11-27-17)23-5-2-18(14-28-23)15-29-25-22-4-3-20(13-24(22)30-16-31-25)19-6-9-26-10-7-19/h2-6,8,11-14,16,26H,7,9-10,15H2,1H3,(H,29,30,31).
What are the key properties of N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine?
N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine has a molecular weight of 408.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 57414224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).