2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine

C24H29N3O2 — CID 167287109

IUPAC2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine
SMILESCOc1cc2nc3ccccc3c(N[C@@H]3CCCN(C4CC4C)C3)c2cc1OC
InChIInChI=1S/C24H29N3O2/c1-15-11-21(15)27-10-6-7-16(14-27)25-24-17-8-4-5-9-19(17)26-20-13-23(29-3)22(28-2)12-18(20)24/h4-5,8-9,12-13,15-16,21H,6-7,10-11,14H2,1-3H3,(H,25,26)/t15?,16-,21?/m1/s1
InChIKeyCZQGRCPARGCMSM-ZGOJQLDESA-N
MW391.52 g/mol
LogP4.69
Rot. Bonds5

About 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine

2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine (PubChem CID 167287109) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine
PubChem CID167287109
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine
SMILESCOc1cc2nc3ccccc3c(N[C@@H]3CCCN(C4CC4C)C3)c2cc1OC
InChIInChI=1S/C24H29N3O2/c1-15-11-21(15)27-10-6-7-16(14-27)25-24-17-8-4-5-9-19(17)26-20-13-23(29-3)22(28-2)12-18(20)24/h4-5,8-9,12-13,15-16,21H,6-7,10-11,14H2,1-3H3,(H,25,26)/t15?,16-,21?/m1/s1
InChIKeyCZQGRCPARGCMSM-ZGOJQLDESA-N
XLogP4.69
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
CID 130345668
1-ethyl-4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345883
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345878
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345934
2-methoxy-N-(1-methylpiperidin-4-yl)acridin-9-amine
CID 149391308
3-[3-(3-fluoroazetidin-1-yl)propoxy]-2-methoxy-N-methylacridin-9-amine
CID 130345733
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560820
N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 71738605
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 130345877
cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol
CID 137479021

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine?
The IUPAC name of 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine (CID 167287109) is 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine.
What is the SMILES notation for 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine?
The canonical SMILES for 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine is COc1cc2nc3ccccc3c(N[C@@H]3CCCN(C4CC4C)C3)c2cc1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine?
The InChIKey is CZQGRCPARGCMSM-ZGOJQLDESA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-11-21(15)27-10-6-7-16(14-27)25-24-17-8-4-5-9-19(17)26-20-13-23(29-3)22(28-2)12-18(20)24/h4-5,8-9,12-13,15-16,21H,6-7,10-11,14H2,1-3H3,(H,25,26)/t15?,16-,21?/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine?
2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine has a molecular weight of 391.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(3R)-1-(2-methylcyclopropyl)piperidin-3-yl]acridin-9-amine is sourced from PubChem (CID 167287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).