N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide

C37H38N10O4 — CID 145192221

IUPACN-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
SMILESNCCOc1cc(NC(=O)c2ncccn2)c2ncccc2c1.O=C(Nc1cc(OCCC2CCNCC2)cc2cccnc12)c1cnccn1
InChIInChI=1S/C21H23N5O2.C16H15N5O2/c27-21(19-14-23-9-10-24-19)26-18-13-17(12-16-2-1-6-25-20(16)18)28-11-5-15-3-7-22-8-4-15;17-4-8-23-12-9-11-3-1-5-18-14(11)13(10-12)21-16(22)15-19-6-2-7-20-15/h1-2,6,9-10,12-15,22H,3-5,7-8,11H2,(H,26,27);1-3,5-7,9-10H,4,8,17H2,(H,21,22)
InChIKeyAAQVRQFNRBXUFQ-UHFFFAOYSA-N
MW686.78 g/mol
LogP4.66
Rot. Bonds11

About N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide

N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide (PubChem CID 145192221) has the molecular formula C37H38N10O4 and a molecular weight of 686.78 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
PubChem CID145192221
Molecular FormulaC37H38N10O4
Molecular Weight686.78 g/mol
Exact Mass686.31
IUPAC NameN-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
SMILESNCCOc1cc(NC(=O)c2ncccn2)c2ncccc2c1.O=C(Nc1cc(OCCC2CCNCC2)cc2cccnc12)c1cnccn1
InChIInChI=1S/C21H23N5O2.C16H15N5O2/c27-21(19-14-23-9-10-24-19)26-18-13-17(12-16-2-1-6-25-20(16)18)28-11-5-15-3-7-22-8-4-15;17-4-8-23-12-9-11-3-1-5-18-14(11)13(10-12)21-16(22)15-19-6-2-7-20-15/h1-2,6,9-10,12-15,22H,3-5,7-8,11H2,(H,26,27);1-3,5-7,9-10H,4,8,17H2,(H,21,22)
InChIKeyAAQVRQFNRBXUFQ-UHFFFAOYSA-N
XLogP4.66
TPSA192.05 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.78
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide (CID 145192221) is N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide is NCCOc1cc(NC(=O)c2ncccn2)c2ncccc2c1.O=C(Nc1cc(OCCC2CCNCC2)cc2cccnc12)c1cnccn1.
What is the InChIKey of N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide?
The InChIKey is AAQVRQFNRBXUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C16H15N5O2/c27-21(19-14-23-9-10-24-19)26-18-13-17(12-16-2-1-6-25-20(16)18)28-11-5-15-3-7-22-8-4-15;17-4-8-23-12-9-11-3-1-5-18-14(11)13(10-12)21-16(22)15-19-6-2-7-20-15/h1-2,6,9-10,12-15,22H,3-5,7-8,11H2,(H,26,27);1-3,5-7,9-10H,4,8,17H2,(H,21,22).
What are the key properties of N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide?
N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide has a molecular weight of 686.78 g/mol, XLogP of 4.66, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethoxy)quinolin-8-yl]pyrimidine-2-carboxamide;N-[6-(2-piperidin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 145192221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).