N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C26H28N4O2 — CID 141401056

IUPACN-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOCCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C26H28N4O2/c1-31-15-16-32-24-17-20-11-5-8-14-23(20)30(24)26-28-22-13-7-6-12-21(22)25(29-26)27-18-19-9-3-2-4-10-19/h2-5,8-11,14,17H,6-7,12-13,15-16,18H2,1H3,(H,27,28,29)
InChIKeyCLFIHEOMTNOGOY-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.94
Rot. Bonds8

About N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 141401056) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID141401056
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOCCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C26H28N4O2/c1-31-15-16-32-24-17-20-11-5-8-14-23(20)30(24)26-28-22-13-7-6-12-21(22)25(29-26)27-18-19-9-3-2-4-10-19/h2-5,8-11,14,17H,6-7,12-13,15-16,18H2,1H3,(H,27,28,29)
InChIKeyCLFIHEOMTNOGOY-UHFFFAOYSA-N
XLogP4.94
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73051280
N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 172802990
N-benzyl-2-(2-methyl-4-methylsulfonylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73052879
1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-propan-2-ylindole-4-carboxamide
CID 73051760
N-[1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindol-4-yl]propanamide
CID 155510447
N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine
CID 150108036
N-benzyl-8-(2-methoxyethoxy)-2-(2-propan-2-ylindol-1-yl)quinazolin-4-amine
CID 118331929
[3-[[[2-(4-carbamoyl-2-methoxybenzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205902
[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indol-2-yl]methylurea
CID 90032416
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240020
N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 127039986
[3-[[[2-(4-carbamoyl-2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205620

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 141401056) is N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is COCCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2.
What is the InChIKey of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CLFIHEOMTNOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-31-15-16-32-24-17-20-11-5-8-14-23(20)30(24)26-28-22-13-7-6-12-21(22)25(29-26)27-18-19-9-3-2-4-10-19/h2-5,8-11,14,17H,6-7,12-13,15-16,18H2,1H3,(H,27,28,29).
What are the key properties of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 141401056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).