N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine

C27H21N6OP — CID 139034507

IUPACN-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
SMILESO=P(Nc1cnc2ccccc2c1)(Nc1cnc2ccccc2c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C27H21N6OP/c34-35(31-22-13-19-7-1-4-10-25(19)28-16-22,32-23-14-20-8-2-5-11-26(20)29-17-23)33-24-15-21-9-3-6-12-27(21)30-18-24/h1-18H,(H3,31,32,33,34)
InChIKeyBYBPCRHFHINSTM-UHFFFAOYSA-N
MW476.48 g/mol
LogP7.08
Rot. Bonds6

About N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine

N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine (PubChem CID 139034507) has the molecular formula C27H21N6OP and a molecular weight of 476.48 g/mol. Its IUPAC name is N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine.

Molecular Properties

Compound NameN-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
PubChem CID139034507
Molecular FormulaC27H21N6OP
Molecular Weight476.48 g/mol
Exact Mass476.15
IUPAC NameN-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
SMILESO=P(Nc1cnc2ccccc2c1)(Nc1cnc2ccccc2c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C27H21N6OP/c34-35(31-22-13-19-7-1-4-10-25(19)28-16-22,32-23-14-20-8-2-5-11-26(20)29-17-23)33-24-15-21-9-3-6-12-27(21)30-18-24/h1-18H,(H3,31,32,33,34)
InChIKeyBYBPCRHFHINSTM-UHFFFAOYSA-N
XLogP7.08
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-quinolin-3-ylhydroxylamine
CID 54286324
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391

Frequently Asked Questions

What is the IUPAC name of N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine?
The IUPAC name of N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine (CID 139034507) is N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine.
What is the SMILES notation for N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine?
The canonical SMILES for N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine is O=P(Nc1cnc2ccccc2c1)(Nc1cnc2ccccc2c1)Nc1cnc2ccccc2c1.
What is the InChIKey of N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine?
The InChIKey is BYBPCRHFHINSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N6OP/c34-35(31-22-13-19-7-1-4-10-25(19)28-16-22,32-23-14-20-8-2-5-11-26(20)29-17-23)33-24-15-21-9-3-6-12-27(21)30-18-24/h1-18H,(H3,31,32,33,34).
What are the key properties of N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine?
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine has a molecular weight of 476.48 g/mol, XLogP of 7.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine is sourced from PubChem (CID 139034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).