2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C28H27N5O3 — CID 71242081

IUPAC2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2)CC1
InChIInChI=1S/C28H27N5O3/c1-32-12-14-33(15-13-32)28(35)20-8-6-19(7-9-20)21-16-24-22(4-2-10-30-24)26(17-21)36-18-25-23(27(29)34)5-3-11-31-25/h2-11,16-17H,12-15,18H2,1H3,(H2,29,34)
InChIKeySPAGWCIGNLKAGL-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.36
Rot. Bonds6

About 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71242081) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71242081
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2)CC1
InChIInChI=1S/C28H27N5O3/c1-32-12-14-33(15-13-32)28(35)20-8-6-19(7-9-20)21-16-24-22(4-2-10-30-24)26(17-21)36-18-25-23(27(29)34)5-3-11-31-25/h2-11,16-17H,12-15,18H2,1H3,(H2,29,34)
InChIKeySPAGWCIGNLKAGL-UHFFFAOYSA-N
XLogP3.36
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
CID 144516381
2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
CID 71242073
2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241934
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinic acid
CID 71244060
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinate
CID 71244059
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 10004959
7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
CID 134258777
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158687562
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
2-methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]benzamide
CID 163497559
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71242081) is 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CN1CCN(C(=O)c2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2)CC1.
What is the InChIKey of 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is SPAGWCIGNLKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-32-12-14-33(15-13-32)28(35)20-8-6-19(7-9-20)21-16-24-22(4-2-10-30-24)26(17-21)36-18-25-23(27(29)34)5-3-11-31-25/h2-11,16-17H,12-15,18H2,1H3,(H2,29,34).
What are the key properties of 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71242081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).