acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine

C23H34N4O3 — CID 143603735

IUPACacetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine
SMILESC#C.C=O.C=O.CCNC.CNC.Cc1ccc2c(c1)c(=O)c1ccccc1n2N
InChIInChI=1S/C14H12N2O.C3H9N.C2H7N.C2H2.2CH2O/c1-9-6-7-13-11(8-9)14(17)10-4-2-3-5-12(10)16(13)15;1-3-4-2;1-3-2;3*1-2/h2-8H,15H2,1H3;4H,3H2,1-2H3;3H,1-2H3;1-2H;2*1H2
InChIKeyHRCWMHBCTQSXIE-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.12
Rot. Bonds1

About acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine

acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine (PubChem CID 143603735) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine.

Molecular Properties

Compound Nameacetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine
PubChem CID143603735
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nameacetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine
SMILESC#C.C=O.C=O.CCNC.CNC.Cc1ccc2c(c1)c(=O)c1ccccc1n2N
InChIInChI=1S/C14H12N2O.C3H9N.C2H7N.C2H2.2CH2O/c1-9-6-7-13-11(8-9)14(17)10-4-2-3-5-12(10)16(13)15;1-3-4-2;1-3-2;3*1-2/h2-8H,15H2,1H3;4H,3H2,1-2H3;3H,1-2H3;1-2H;2*1H2
InChIKeyHRCWMHBCTQSXIE-UHFFFAOYSA-N
XLogP2.12
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine?
The IUPAC name of acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine (CID 143603735) is acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine.
What is the SMILES notation for acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine?
The canonical SMILES for acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine is C#C.C=O.C=O.CCNC.CNC.Cc1ccc2c(c1)c(=O)c1ccccc1n2N.
What is the InChIKey of acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine?
The InChIKey is HRCWMHBCTQSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C3H9N.C2H7N.C2H2.2CH2O/c1-9-6-7-13-11(8-9)14(17)10-4-2-3-5-12(10)16(13)15;1-3-4-2;1-3-2;3*1-2/h2-8H,15H2,1H3;4H,3H2,1-2H3;3H,1-2H3;1-2H;2*1H2.
What are the key properties of acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine?
acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine has a molecular weight of 414.55 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine is sourced from PubChem (CID 143603735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).