N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide

C24H29FN6O3 — CID 145126604

IUPACN-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCC/C(NN)=C(\C)N)ccc12
InChIInChI=1S/C24H29FN6O3/c1-4-34-23-17-8-7-16(24(32)29-10-5-6-18(31-27)14(2)26)12-19(17)30-22(21(23)25)15-9-11-28-20(13-15)33-3/h7-9,11-13,31H,4-6,10,26-27H2,1-3H3,(H,29,32)/b18-14-
InChIKeyPBOMRVPBIJLHJM-JXAWBTAJSA-N
MW468.53 g/mol
LogP3.01
Rot. Bonds10

About N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide

N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide (PubChem CID 145126604) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide
PubChem CID145126604
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC NameN-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCC/C(NN)=C(\C)N)ccc12
InChIInChI=1S/C24H29FN6O3/c1-4-34-23-17-8-7-16(24(32)29-10-5-6-18(31-27)14(2)26)12-19(17)30-22(21(23)25)15-9-11-28-20(13-15)33-3/h7-9,11-13,31H,4-6,10,26-27H2,1-3H3,(H,29,32)/b18-14-
InChIKeyPBOMRVPBIJLHJM-JXAWBTAJSA-N
XLogP3.01
TPSA137.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide?
The IUPAC name of N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide (CID 145126604) is N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide.
What is the SMILES notation for N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide?
The canonical SMILES for N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide is CCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCC/C(NN)=C(\C)N)ccc12.
What is the InChIKey of N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide?
The InChIKey is PBOMRVPBIJLHJM-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-4-34-23-17-8-7-16(24(32)29-10-5-6-18(31-27)14(2)26)12-19(17)30-22(21(23)25)15-9-11-28-20(13-15)33-3/h7-9,11-13,31H,4-6,10,26-27H2,1-3H3,(H,29,32)/b18-14-.
What are the key properties of N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide?
N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.01, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide is sourced from PubChem (CID 145126604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).