N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide

C23H35N5O — CID 123814875

IUPACN-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide
SMILESCCC(CCNc1nc2ccc(C)cc2cc1/C(N)=N/C(C)=O)NC(C)C(C)C
InChIInChI=1S/C23H35N5O/c1-7-19(26-16(5)14(2)3)10-11-25-23-20(22(24)27-17(6)29)13-18-12-15(4)8-9-21(18)28-23/h8-9,12-14,16,19,26H,7,10-11H2,1-6H3,(H,25,28)(H2,24,27,29)
InChIKeySRWHLUDZDMTVHU-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.01
Rot. Bonds9

About N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide

N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide (PubChem CID 123814875) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide
PubChem CID123814875
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide
SMILESCCC(CCNc1nc2ccc(C)cc2cc1/C(N)=N/C(C)=O)NC(C)C(C)C
InChIInChI=1S/C23H35N5O/c1-7-19(26-16(5)14(2)3)10-11-25-23-20(22(24)27-17(6)29)13-18-12-15(4)8-9-21(18)28-23/h8-9,12-14,16,19,26H,7,10-11H2,1-6H3,(H,25,28)(H2,24,27,29)
InChIKeySRWHLUDZDMTVHU-UHFFFAOYSA-N
XLogP4.01
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethyl)-2-[3-(2-hydroxypropylamino)pentylamino]-6-methylquinoline-3-carboxamide
CID 123214150
N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide
CID 123145374
2-[3-(cyclohexylamino)pentylamino]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 147998906
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone
CID 139324725
3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine
CID 163917965
N-(1-aminoethyl)-2-[3-(oxan-3-ylamino)pentylamino]quinoline-3-carboxamide
CID 139324541
ethyl 2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinoline-3-carboxylate
CID 123210006
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
CID 647352
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[amino-(2-methylphenyl)methylidene]acetamide
CID 153172405

Frequently Asked Questions

What is the IUPAC name of N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide?
The IUPAC name of N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide (CID 123814875) is N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide.
What is the SMILES notation for N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide?
The canonical SMILES for N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide is CCC(CCNc1nc2ccc(C)cc2cc1/C(N)=N/C(C)=O)NC(C)C(C)C.
What is the InChIKey of N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide?
The InChIKey is SRWHLUDZDMTVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-7-19(26-16(5)14(2)3)10-11-25-23-20(22(24)27-17(6)29)13-18-12-15(4)8-9-21(18)28-23/h8-9,12-14,16,19,26H,7,10-11H2,1-6H3,(H,25,28)(H2,24,27,29).
What are the key properties of N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide?
N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide has a molecular weight of 397.57 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide is sourced from PubChem (CID 123814875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).