2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

C20H24BrN5O — CID 139801399

IUPAC2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ncnc2c1CCCC2
InChIInChI=1S/C20H24BrN5O/c21-15-5-7-16(8-6-15)26-11-9-25(10-12-26)13-19(27)24-20-17-3-1-2-4-18(17)22-14-23-20/h5-8,14H,1-4,9-13H2,(H,22,23,24,27)
InChIKeyOOMZLVSFKHJNQQ-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.88
Rot. Bonds4

About 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (PubChem CID 139801399) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
PubChem CID139801399
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ncnc2c1CCCC2
InChIInChI=1S/C20H24BrN5O/c21-15-5-7-16(8-6-15)26-11-9-25(10-12-26)13-19(27)24-20-17-3-1-2-4-18(17)22-14-23-20/h5-8,14H,1-4,9-13H2,(H,22,23,24,27)
InChIKeyOOMZLVSFKHJNQQ-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide with MolForge

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Related Compounds

N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(prop-2-en-1-yl)amino]but-2-ynamide
CID 5328959
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-ynamide
CID 5328954
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-ynamide
CID 5328955
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamide
CID 5328964
4-Anilinoquinazoline deriv. 16g
CID 5328972
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide
CID 46239453
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dipropylamino)but-2-ynamide
CID 5328956
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(piperidin-1-yl)but-2-ynamide
CID 5328960
(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-3-phenylprop-2-enamide
CID 5329077
4-(2-Bromo-4-isopropyl-phenyl)-8-(butyl-ethyl-amino)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 10027220
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-piperidin-1-ylpropanamide
CID 46831434
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (CID 139801399) is 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is O=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ncnc2c1CCCC2.
What is the InChIKey of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The InChIKey is OOMZLVSFKHJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c21-15-5-7-16(8-6-15)26-11-9-25(10-12-26)13-19(27)24-20-17-3-1-2-4-18(17)22-14-23-20/h5-8,14H,1-4,9-13H2,(H,22,23,24,27).
What are the key properties of 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide has a molecular weight of 430.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is sourced from PubChem (CID 139801399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).