4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine

C19H26N4O — CID 143872889

IUPAC4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
SMILESC1CCNC1.COc1nc(N)nc2c1CCCC2c1ccccc1
InChIInChI=1S/C15H17N3O.C4H9N/c1-19-14-12-9-5-8-11(10-6-3-2-4-7-10)13(12)17-15(16)18-14;1-2-4-5-3-1/h2-4,6-7,11H,5,8-9H2,1H3,(H2,16,17,18);5H,1-4H2
InChIKeyYLUJLNUNPZGSFB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.91
Rot. Bonds2

About 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine

4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine (PubChem CID 143872889) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine.

Molecular Properties

Compound Name4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
PubChem CID143872889
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
SMILESC1CCNC1.COc1nc(N)nc2c1CCCC2c1ccccc1
InChIInChI=1S/C15H17N3O.C4H9N/c1-19-14-12-9-5-8-11(10-6-3-2-4-7-10)13(12)17-15(16)18-14;1-2-4-5-3-1/h2-4,6-7,11H,5,8-9H2,1H3,(H2,16,17,18);5H,1-4H2
InChIKeyYLUJLNUNPZGSFB-UHFFFAOYSA-N
XLogP2.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 76637694
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 76637688
5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 123411248
2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 152635319
4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
CID 630916
5-(aminomethyl)-4-cyclobutyl-6-methoxypyrimidin-2-amine
CID 105461912
4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 70961398
8-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 144935257
4-methoxy-2-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 105493352
1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771002
4-phenylazocane
CID 19847318

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine?
The IUPAC name of 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine (CID 143872889) is 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine.
What is the SMILES notation for 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine?
The canonical SMILES for 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine is C1CCNC1.COc1nc(N)nc2c1CCCC2c1ccccc1.
What is the InChIKey of 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine?
The InChIKey is YLUJLNUNPZGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.C4H9N/c1-19-14-12-9-5-8-11(10-6-3-2-4-7-10)13(12)17-15(16)18-14;1-2-4-5-3-1/h2-4,6-7,11H,5,8-9H2,1H3,(H2,16,17,18);5H,1-4H2.
What are the key properties of 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine?
4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine has a molecular weight of 326.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine is sourced from PubChem (CID 143872889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).