cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen

C24H37N5O — CID 144576041

IUPACcyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C(N)=O)cc2c1.[H]/N=C/C1CC1.[H][H]
InChIInChI=1S/C20H28N4O.C4H7N.H2/c1-13(2)12-22-16-6-8-24(9-7-16)20-17(19(21)25)11-15-10-14(3)4-5-18(15)23-20;5-3-4-1-2-4;/h4-5,10-11,13,16,22H,6-9,12H2,1-3H3,(H2,21,25);3-5H,1-2H2;1H/b;5-3+;
InChIKeyXNKZWBAFTNSXGB-PTDWBMLLSA-N
MW411.59 g/mol
LogP4.15
Rot. Bonds6

About cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen

cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen (PubChem CID 144576041) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Namecyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen
PubChem CID144576041
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Namecyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C(N)=O)cc2c1.[H]/N=C/C1CC1.[H][H]
InChIInChI=1S/C20H28N4O.C4H7N.H2/c1-13(2)12-22-16-6-8-24(9-7-16)20-17(19(21)25)11-15-10-14(3)4-5-18(15)23-20;5-3-4-1-2-4;/h4-5,10-11,13,16,22H,6-9,12H2,1-3H3,(H2,21,25);3-5H,1-2H2;1H/b;5-3+;
InChIKeyXNKZWBAFTNSXGB-PTDWBMLLSA-N
XLogP4.15
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
CID 144575824
[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 149467803
[(Z)-N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 144575717
6-methyl-2-[4-[(4-methyloxan-4-yl)amino]piperidin-1-yl]quinoline-3-carboxamide
CID 144575495
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
[N-ethanimidoyl-C-[6-methyl-2-[4-(spiro[2.5]octan-8-ylmethylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 144575591
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
CID 118264014
(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
CID 118263992
N-cyclopentyl-1-[3-(4-iminopent-2-enimidoyl)-6-methylquinolin-2-yl]piperidin-4-amine
CID 123307719
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen (CID 144576041) is cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen is Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C(N)=O)cc2c1.[H]/N=C/C1CC1.[H][H].
What is the InChIKey of cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen?
The InChIKey is XNKZWBAFTNSXGB-PTDWBMLLSA-N. The full InChI is InChI=1S/C20H28N4O.C4H7N.H2/c1-13(2)12-22-16-6-8-24(9-7-16)20-17(19(21)25)11-15-10-14(3)4-5-18(15)23-20;5-3-4-1-2-4;/h4-5,10-11,13,16,22H,6-9,12H2,1-3H3,(H2,21,25);3-5H,1-2H2;1H/b;5-3+;.
What are the key properties of cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen?
cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen has a molecular weight of 411.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 144576041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).