2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide

C25H30N6O2 — CID 143883881

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide
SMILESCc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C25H30N6O2/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32)
InChIKeyAOOQFTNYIHWZRZ-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.96
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide

2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide (PubChem CID 143883881) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide
PubChem CID143883881
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide
SMILESCc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C25H30N6O2/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32)
InChIKeyAOOQFTNYIHWZRZ-UHFFFAOYSA-N
XLogP2.96
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide (CID 143883881) is 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide is Cc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The InChIKey is AOOQFTNYIHWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide is sourced from PubChem (CID 143883881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).