tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate

C28H34N4O4 — CID 146389762

IUPACtert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate
SMILESCOc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCC(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-13-11-31(12-14-32)25-22-10-9-19(16-24(22)29-26(30-25)35-4)23-17-20(33)15-18-7-5-6-8-21(18)23/h5-8,15,17,19,33H,9-14,16H2,1-4H3
InChIKeyDHRYMMYCBSORBY-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate (PubChem CID 146389762) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate
PubChem CID146389762
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Nametert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate
SMILESCOc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCC(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-13-11-31(12-14-32)25-22-10-9-19(16-24(22)29-26(30-25)35-4)23-17-20(33)15-18-7-5-6-8-21(18)23/h5-8,15,17,19,33H,9-14,16H2,1-4H3
InChIKeyDHRYMMYCBSORBY-UHFFFAOYSA-N
XLogP4.67
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-6-methyl-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate
CID 146389388
tert-butyl (3S)-3-methyl-4-[7-(3-methylnaphthalen-1-yl)-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate
CID 170213162
tert-butyl 3-[7-[3-(methoxymethoxy)naphthalen-1-yl]-2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166522475
2,2-difluoro-1-[4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;1-propan-2-ylpyrrolidine
CID 142595033
1-[(3S)-4-[(7R)-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 146380121
(4S)-4-[[(7S)-7-(3-hydroxynaphthalen-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 146380190
4-[[7-(3-hydroxynaphthalen-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 146389315
2-[(2R)-1-(2-fluoroprop-2-enoyl)-4-[(7R)-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-2-yl]acetonitrile
CID 146380077
1-[4-[7-(3-aminonaphthalen-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 167292261
1-[4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;pyrrolidine
CID 145405064
tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate
CID 146389490
2-[4-[7-(3-hydroxynaphthalen-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-2-yl]acetonitrile
CID 175081600

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate (CID 146389762) is tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate is COc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCC(c1cc(O)cc3ccccc13)C2.
What is the InChIKey of tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate?
The InChIKey is DHRYMMYCBSORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-13-11-31(12-14-32)25-22-10-9-19(16-24(22)29-26(30-25)35-4)23-17-20(33)15-18-7-5-6-8-21(18)23/h5-8,15,17,19,33H,9-14,16H2,1-4H3.
What are the key properties of tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 146389762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).