9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine

C16H18N4 — CID 84640203

IUPAC9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1cccc2cc3c(N)nc(C(C)C)nc3nc12
InChIInChI=1S/C16H18N4/c1-4-10-6-5-7-11-8-12-14(17)19-15(9(2)3)20-16(12)18-13(10)11/h5-9H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyUBJKGJCCSIWGBT-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.45
Rot. Bonds2

About 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine

9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84640203) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84640203
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1cccc2cc3c(N)nc(C(C)C)nc3nc12
InChIInChI=1S/C16H18N4/c1-4-10-6-5-7-11-8-12-14(17)19-15(9(2)3)20-16(12)18-13(10)11/h5-9H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyUBJKGJCCSIWGBT-UHFFFAOYSA-N
XLogP3.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367
3,8-diethylquinolin-2-amine
CID 17039687
8-ethyl-3-methylquinolin-2-amine;hydrochloride
CID 43866070
8-ethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
CID 28809292
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
2-propan-2-ylbenzo[g]quinazolin-4-amine
CID 106583882
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
3-methyl-8-propylquinolin-2-amine
CID 63232824
4,5-bis(bromomethyl)acridine;(5-ethylacridin-4-yl)methyl-di(propan-2-yl)phosphane
CID 163675366
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457
2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
CID 84636488
2-cyclopropyl-8-ethylquinazolin-4-amine
CID 106583926

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine (CID 84640203) is 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine is CCc1cccc2cc3c(N)nc(C(C)C)nc3nc12.
What is the InChIKey of 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is UBJKGJCCSIWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-10-6-5-7-11-8-12-14(17)19-15(9(2)3)20-16(12)18-13(10)11/h5-9H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine?
9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).