N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine

C33H48N4 — CID 177173845

IUPACN-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CCCCCNCCCc1ccc(-c2cc(NCC3CC3)c3ccc(CC)cc3n2)cc1
InChIInChI=1S/C29H39N3.C4H9N/c1-3-5-6-17-30-18-7-8-23-11-14-25(15-12-23)27-20-28(31-21-24-9-10-24)26-16-13-22(4-2)19-29(26)32-27;1-4(2)5-3/h11-16,19-20,24,30H,3-10,17-18,21H2,1-2H3,(H,31,32);5H,1H2,2-3H3
InChIKeyWAFCIJQKJKXQPQ-UHFFFAOYSA-N
MW500.78 g/mol
LogP7.74
Rot. Bonds14

About N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine

N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine (PubChem CID 177173845) has the molecular formula C33H48N4 and a molecular weight of 500.78 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine
PubChem CID177173845
Molecular FormulaC33H48N4
Molecular Weight500.78 g/mol
Exact Mass500.39
IUPAC NameN-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CCCCCNCCCc1ccc(-c2cc(NCC3CC3)c3ccc(CC)cc3n2)cc1
InChIInChI=1S/C29H39N3.C4H9N/c1-3-5-6-17-30-18-7-8-23-11-14-25(15-12-23)27-20-28(31-21-24-9-10-24)26-16-13-22(4-2)19-29(26)32-27;1-4(2)5-3/h11-16,19-20,24,30H,3-10,17-18,21H2,1-2H3,(H,31,32);5H,1H2,2-3H3
InChIKeyWAFCIJQKJKXQPQ-UHFFFAOYSA-N
XLogP7.74
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.78
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine with MolForge

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Related Compounds

butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 145292195
3-[4-[4-(3a-fluoro-4-methylidene-1,3,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)-7-ethylquinolin-2-yl]phenyl]-N-methylpropan-1-amine;ethane
CID 177173783
2-[[7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]amino]ethanol;hydrochloride
CID 18433040
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[(4-aminocyclohexyl)methyl]-4-butylaniline
CID 59549626
N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine
CID 174181358
N,N'-bis(6-butyl-2-methylquinolin-4-yl)butane-1,4-diamine
CID 58807116
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
4-[2-(pentylamino)ethyl]phenol
CID 61236551
methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
CID 174822215
2-[5-(4-butylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid
CID 167502276

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine (CID 177173845) is N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine is C=C(C)NC.CCCCCNCCCc1ccc(-c2cc(NCC3CC3)c3ccc(CC)cc3n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine?
The InChIKey is WAFCIJQKJKXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3.C4H9N/c1-3-5-6-17-30-18-7-8-23-11-14-25(15-12-23)27-20-28(31-21-24-9-10-24)26-16-13-22(4-2)19-29(26)32-27;1-4(2)5-3/h11-16,19-20,24,30H,3-10,17-18,21H2,1-2H3,(H,31,32);5H,1H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine?
N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine has a molecular weight of 500.78 g/mol, XLogP of 7.74, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine is sourced from PubChem (CID 177173845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).