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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Related Compounds

5,12-diaminoquinolino[2,3-b]acridine-7,14-dione
CID 20821728
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
15,25-dimethyl-1,5-diazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-12,18,22,28-tetrone
CID 163521900
3-methyl-9-oxidocarbazole
CID 166517305
3-ethenyl-1,2,6-trimethylquinolin-4-one
CID 126606942
2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one
CID 59572907
2,5-dimethyl-6H-indolo[2,3-b]quinolin-11-one
CID 139219477
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157

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).