2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine

C16H20N6 — CID 162657986

IUPAC2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1
InChIInChI=1S/C16H20N6/c1-22(2)7-3-5-19-16-20-10-12-8-11-9-18-6-4-13(11)14(17)15(12)21-16/h4,6,8-10H,3,5,7,17H2,1-2H3,(H,19,20,21)
InChIKeyDMOJZRQEFRSMBQ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.12
Rot. Bonds5

About 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine

2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 162657986) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID162657986
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1
InChIInChI=1S/C16H20N6/c1-22(2)7-3-5-19-16-20-10-12-8-11-9-18-6-4-13(11)14(17)15(12)21-16/h4,6,8-10H,3,5,7,17H2,1-2H3,(H,19,20,21)
InChIKeyDMOJZRQEFRSMBQ-UHFFFAOYSA-N
XLogP2.12
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
CID 106947959
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58722838
N',N'-dimethyl-N-(3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-yl)propane-1,3-diamine
CID 46929192
N-[5-[2-(3-aminophenyl)ethynyl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 59198292
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine (CID 162657986) is 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine is CN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is DMOJZRQEFRSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-22(2)7-3-5-19-16-20-10-12-8-11-9-18-6-4-13(11)14(17)15(12)21-16/h4,6,8-10H,3,5,7,17H2,1-2H3,(H,19,20,21).
What are the key properties of 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 296.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 162657986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).