N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine

C19H26N4O2 — CID 134603920

IUPACN-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine
SMILESC=C(NO)C1=CNc2c(cc(C)c(N3CC[C@@H](CN)C3)c2OC)C1=C
InChIInChI=1S/C19H26N4O2/c1-11-7-15-12(2)16(13(3)22-24)9-21-17(15)19(25-4)18(11)23-6-5-14(8-20)10-23/h7,9,14,21-22,24H,2-3,5-6,8,10,20H2,1,4H3/t14-/m0/s1
InChIKeyIBTWOJZDPHWFIW-AWEZNQCLSA-N
MW342.44 g/mol
LogP2.60
Rot. Bonds5

About N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine

N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine (PubChem CID 134603920) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine
PubChem CID134603920
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine
SMILESC=C(NO)C1=CNc2c(cc(C)c(N3CC[C@@H](CN)C3)c2OC)C1=C
InChIInChI=1S/C19H26N4O2/c1-11-7-15-12(2)16(13(3)22-24)9-21-17(15)19(25-4)18(11)23-6-5-14(8-20)10-23/h7,9,14,21-22,24H,2-3,5-6,8,10,20H2,1,4H3/t14-/m0/s1
InChIKeyIBTWOJZDPHWFIW-AWEZNQCLSA-N
XLogP2.60
TPSA82.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[7-[3-(aminomethyl)pyrrolidin-1-yl]-1-but-3-enyl-6-fluoro-8-methoxy-4-methylidenequinolin-3-yl]ethenyl]hydroxylamine
CID 142372765
[(3S)-1-[6-fluoro-8-methoxy-3-(1-methoxyethenyl)-4-methylidene-1-[(4-phenylphenyl)methyl]quinolin-7-yl]pyrrolidin-3-yl]methanamine
CID 134603907
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methoxy-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118446693
[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
CID 43126555
3-[4-(aminomethyl)piperidin-1-yl]-4-methoxycyclobut-3-ene-1,2-dione
CID 178147559
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
4-[3-(aminomethyl)pyrrolidin-1-yl]-3,5-difluorobenzoic acid
CID 63184853
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
CID 134814335

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine?
The IUPAC name of N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine (CID 134603920) is N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine?
The canonical SMILES for N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine is C=C(NO)C1=CNc2c(cc(C)c(N3CC[C@@H](CN)C3)c2OC)C1=C.
What is the InChIKey of N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine?
The InChIKey is IBTWOJZDPHWFIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11-7-15-12(2)16(13(3)22-24)9-21-17(15)19(25-4)18(11)23-6-5-14(8-20)10-23/h7,9,14,21-22,24H,2-3,5-6,8,10,20H2,1,4H3/t14-/m0/s1.
What are the key properties of N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine?
N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine has a molecular weight of 342.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-8-methoxy-6-methyl-4-methylidene-1H-quinolin-3-yl]ethenyl]hydroxylamine is sourced from PubChem (CID 134603920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).