propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate

C26H27N5O3 — CID 163801094

IUPACpropyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(C)cc(-c4ccc5[nH]ncc5c4)nc3c2)CC1
InChIInChI=1S/C26H27N5O3/c1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)19-4-6-21-17(2)13-23(28-24(21)15-19)18-5-7-22-20(14-18)16-27-29-22/h4-7,13-16H,3,8-12H2,1-2H3,(H,27,29)
InChIKeyNFAHWNMKDPPRHG-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.39
Rot. Bonds4

About propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate

propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate (PubChem CID 163801094) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate
PubChem CID163801094
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Namepropyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(C)cc(-c4ccc5[nH]ncc5c4)nc3c2)CC1
InChIInChI=1S/C26H27N5O3/c1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)19-4-6-21-17(2)13-23(28-24(21)15-19)18-5-7-22-20(14-18)16-27-29-22/h4-7,13-16H,3,8-12H2,1-2H3,(H,27,29)
InChIKeyNFAHWNMKDPPRHG-UHFFFAOYSA-N
XLogP4.39
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 135559057
3-(Indol-2-yl)indazole 10
CID 135559058
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde
CID 11341642
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
CID 11249157
3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-pyrazol-3-yl)quinolin-2(1H)-one
CID 44419945
3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419986

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate?
The IUPAC name of propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate (CID 163801094) is propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2ccc3c(C)cc(-c4ccc5[nH]ncc5c4)nc3c2)CC1.
What is the InChIKey of propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate?
The InChIKey is NFAHWNMKDPPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-12-34-26(33)31-10-8-30(9-11-31)25(32)19-4-6-21-17(2)13-23(28-24(21)15-19)18-5-7-22-20(14-18)16-27-29-22/h4-7,13-16H,3,8-12H2,1-2H3,(H,27,29).
What are the key properties of propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate?
propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(1H-indazol-5-yl)-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 163801094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).