N-(4-azidobutyl)quinoline-4-carboxamide

C14H15N5O — CID 106386810

IUPACN-(4-azidobutyl)quinoline-4-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15N5O/c15-19-18-9-4-3-8-17-14(20)12-7-10-16-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,17,20)
InChIKeyXJHUUOLWDCENGX-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.06
Rot. Bonds6

About N-(4-azidobutyl)quinoline-4-carboxamide

N-(4-azidobutyl)quinoline-4-carboxamide (PubChem CID 106386810) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(4-azidobutyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)quinoline-4-carboxamide
PubChem CID106386810
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(4-azidobutyl)quinoline-4-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15N5O/c15-19-18-9-4-3-8-17-14(20)12-7-10-16-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,17,20)
InChIKeyXJHUUOLWDCENGX-UHFFFAOYSA-N
XLogP3.06
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-azidobutyl)quinoline-4-carboxamide (CID 106386810) is N-(4-azidobutyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-azidobutyl)quinoline-4-carboxamide is [N-]=[N+]=NCCCCNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(4-azidobutyl)quinoline-4-carboxamide?
The InChIKey is XJHUUOLWDCENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-19-18-9-4-3-8-17-14(20)12-7-10-16-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,17,20).
What are the key properties of N-(4-azidobutyl)quinoline-4-carboxamide?
N-(4-azidobutyl)quinoline-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)quinoline-4-carboxamide is sourced from PubChem (CID 106386810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).