4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one

C51H47N11O5 — CID 158533093

IUPAC4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESNCc1cc(=O)[nH]c2ccccc12.O=C(CCc1cc(=O)[nH]c2ccccc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C26H23N5O2.C15H14N4O2.C10H10N2O/c32-24(9-7-18-11-26(33)29-23-4-2-1-3-22(18)23)20-12-27-31(14-20)16-21-15-30-13-19(17-5-6-17)8-10-25(30)28-21;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,8,10-15,17H,5-7,9,16H2,(H,29,33);3-8,10H,1-2,9H2,(H,20,21);1-5H,6,11H2,(H,12,13)
InChIKeyHNPQTMACIOMIKX-UHFFFAOYSA-N
MW894.01 g/mol
LogP7.26
Rot. Bonds12

About 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one

4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 158533093) has the molecular formula C51H47N11O5 and a molecular weight of 894.01 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one
PubChem CID158533093
Molecular FormulaC51H47N11O5
Molecular Weight894.01 g/mol
Exact Mass893.38
IUPAC Name4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESNCc1cc(=O)[nH]c2ccccc12.O=C(CCc1cc(=O)[nH]c2ccccc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C26H23N5O2.C15H14N4O2.C10H10N2O/c32-24(9-7-18-11-26(33)29-23-4-2-1-3-22(18)23)20-12-27-31(14-20)16-21-15-30-13-19(17-5-6-17)8-10-25(30)28-21;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,8,10-15,17H,5-7,9,16H2,(H,29,33);3-8,10H,1-2,9H2,(H,20,21);1-5H,6,11H2,(H,12,13)
InChIKeyHNPQTMACIOMIKX-UHFFFAOYSA-N
XLogP7.26
TPSA216.35 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.01
LogP ≤ 57.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one (CID 158533093) is 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one is NCc1cc(=O)[nH]c2ccccc12.O=C(CCc1cc(=O)[nH]c2ccccc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.
What is the InChIKey of 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is HNPQTMACIOMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2.C15H14N4O2.C10H10N2O/c32-24(9-7-18-11-26(33)29-23-4-2-1-3-22(18)23)20-12-27-31(14-20)16-21-15-30-13-19(17-5-6-17)8-10-25(30)28-21;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,8,10-15,17H,5-7,9,16H2,(H,29,33);3-8,10H,1-2,9H2,(H,20,21);1-5H,6,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one?
4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 894.01 g/mol, XLogP of 7.26, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1H-quinolin-2-one;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;4-[3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 158533093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).