N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide

C23H24N6O — CID 46909362

IUPACN-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCn1ccc2cnc(Nc3ccc4ncccc4c3)nc21)C1CCC1
InChIInChI=1S/C23H24N6O/c30-22(16-4-1-5-16)25-11-3-12-29-13-9-18-15-26-23(28-21(18)29)27-19-7-8-20-17(14-19)6-2-10-24-20/h2,6-10,13-16H,1,3-5,11-12H2,(H,25,30)(H,26,27,28)
InChIKeySASKQCOPYLRNPM-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.03
Rot. Bonds7

About N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide

N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide (PubChem CID 46909362) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide
PubChem CID46909362
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCn1ccc2cnc(Nc3ccc4ncccc4c3)nc21)C1CCC1
InChIInChI=1S/C23H24N6O/c30-22(16-4-1-5-16)25-11-3-12-29-13-9-18-15-26-23(28-21(18)29)27-19-7-8-20-17(14-19)6-2-10-24-20/h2,6-10,13-16H,1,3-5,11-12H2,(H,25,30)(H,26,27,28)
InChIKeySASKQCOPYLRNPM-UHFFFAOYSA-N
XLogP4.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-cyanoanilino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]thiophene-2-carboxamide
CID 46908682
N-[3-[[5-cyclopropyl-2-[(1-hydroxy-2-methylisoindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 90713881
3-(cyclobutylamino)-4-(quinolin-6-ylamino)cyclobut-3-ene-1,2-dione
CID 175497517
N-[3-[[2-(3-fluoroanilino)-5-propan-2-ylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225307
N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide
CID 138020774
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
N-[3-[[5-cyclopropyl-2-(3-pyridin-4-ylanilino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225381
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513551
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
1-(3-bromophenyl)-5-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 90556265

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide (CID 46909362) is N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide is O=C(NCCCn1ccc2cnc(Nc3ccc4ncccc4c3)nc21)C1CCC1.
What is the InChIKey of N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide?
The InChIKey is SASKQCOPYLRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-22(16-4-1-5-16)25-11-3-12-29-13-9-18-15-26-23(28-21(18)29)27-19-7-8-20-17(14-19)6-2-10-24-20/h2,6-10,13-16H,1,3-5,11-12H2,(H,25,30)(H,26,27,28).
What are the key properties of N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide?
N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(quinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 46909362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).