7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

C25H24N4O2 — CID 71566048

IUPAC7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30)
InChIKeyFJCKJZYQYPBUEV-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.33
Rot. Bonds6

About 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 71566048) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID71566048
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30)
InChIKeyFJCKJZYQYPBUEV-UHFFFAOYSA-N
XLogP4.33
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (CID 71566048) is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.
What is the InChIKey of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is FJCKJZYQYPBUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30).
What are the key properties of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).