2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline

C17H14N4O2 — CID 143177758

IUPAC2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline
SMILESCc1nc(N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-11-18-15-5-3-2-4-14(15)17(19-11)20-9-8-12-10-13(21(22)23)6-7-16(12)20/h2-7,10H,8-9H2,1H3
InChIKeyAQGOHOIBYGTNCN-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline

2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline (PubChem CID 143177758) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline.

Molecular Properties

Compound Name2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline
PubChem CID143177758
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline
SMILESCc1nc(N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-11-18-15-5-3-2-4-14(15)17(19-11)20-9-8-12-10-13(21(22)23)6-7-16(12)20/h2-7,10H,8-9H2,1H3
InChIKeyAQGOHOIBYGTNCN-UHFFFAOYSA-N
XLogP3.54
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(5-nitro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
CID 135390445
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
8-nitrophenanthridin-6-amine
CID 90682315
2-nitro-11H-indolo[1,2-b]indazole
CID 11425243
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
methyl-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)borinic acid
CID 149140996
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
5-nitro-1-(6-piperazin-1-ylpyridazin-3-yl)-2,3-dihydroindole
CID 59277047
1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405
3-nitroacridin-9-amine
CID 26592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline?
The IUPAC name of 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline (CID 143177758) is 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline.
What is the SMILES notation for 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline?
The canonical SMILES for 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline is Cc1nc(N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline?
The InChIKey is AQGOHOIBYGTNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-18-15-5-3-2-4-14(15)17(19-11)20-9-8-12-10-13(21(22)23)6-7-16(12)20/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline?
2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline has a molecular weight of 306.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline is sourced from PubChem (CID 143177758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).