6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C28H42N4O3 — CID 118607435

IUPAC6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(C3CCOCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H42N4O3/c1-31-13-6-22(7-14-31)29-25-19-24(21-8-16-34-17-9-21)30-26-20-28(27(33-2)18-23(25)26)35-15-5-12-32-10-3-4-11-32/h18-22H,3-17H2,1-2H3,(H,29,30)
InChIKeyGHVAAKNVBHGPAS-UHFFFAOYSA-N
MW482.67 g/mol
LogP4.51
Rot. Bonds9

About 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118607435) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118607435
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(C3CCOCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H42N4O3/c1-31-13-6-22(7-14-31)29-25-19-24(21-8-16-34-17-9-21)30-26-20-28(27(33-2)18-23(25)26)35-15-5-12-32-10-3-4-11-32/h18-22H,3-17H2,1-2H3,(H,29,30)
InChIKeyGHVAAKNVBHGPAS-UHFFFAOYSA-N
XLogP4.51
TPSA59.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Oxypertine
CID 4640
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
Unc-0642
CID 53315878
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
6-Methoxy-4-[(5-methoxy-2,4-dimethylphenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 5328934
6-Methoxy-7-[(1-methylpiperidin-4-yl)methoxy]-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330088
4-Phenylamino-3-quinolinecarbonitrile 21
CID 5330090
4-Phenylamino-3-quinolinecarbonitrile 22
CID 5330091
4-Phenylamino-3-quinolinecarbonitrile 23
CID 5330092
N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 25141190
7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 44251522

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118607435) is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(C3CCOCC3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is GHVAAKNVBHGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-31-13-6-22(7-14-31)29-25-19-24(21-8-16-34-17-9-21)30-26-20-28(27(33-2)18-23(25)26)35-15-5-12-32-10-3-4-11-32/h18-22H,3-17H2,1-2H3,(H,29,30).
What are the key properties of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 482.67 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118607435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).