5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline

C27H24N2 — CID 162692728

IUPAC5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
SMILES[2H]C(C)(C)c1cc2ccccc2c2ccc3c(-c4cc(C)cc(C)c4)ncnc3c12
InChIInChI=1S/C27H24N2/c1-16(2)24-14-19-7-5-6-8-21(19)22-9-10-23-26(28-15-29-27(23)25(22)24)20-12-17(3)11-18(4)13-20/h5-16H,1-4H3/i16D
InChIKeyBFKKZFRKNPLPCS-QNLPYAOMSA-N
MW377.51 g/mol
LogP7.34
Rot. Bonds2

About 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline

5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline (PubChem CID 162692728) has the molecular formula C27H24N2 and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline.

Molecular Properties

Compound Name5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
PubChem CID162692728
Molecular FormulaC27H24N2
Molecular Weight377.51 g/mol
Exact Mass377.20
IUPAC Name5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
SMILES[2H]C(C)(C)c1cc2ccccc2c2ccc3c(-c4cc(C)cc(C)c4)ncnc3c12
InChIInChI=1S/C27H24N2/c1-16(2)24-14-19-7-5-6-8-21(19)22-9-10-23-26(28-15-29-27(23)25(22)24)20-12-17(3)11-18(4)13-20/h5-16H,1-4H3/i16D
InChIKeyBFKKZFRKNPLPCS-QNLPYAOMSA-N
XLogP7.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline
CID 150583315
4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
CID 162692975
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
CID 175477212
4-(2-propan-2-ylphenyl)benzo[h]quinazoline
CID 140737642
17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 168816669
12-(3,5-dimethylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816732
8-(2,2-dimethylpropyl)-4-[4-(2-isocyanopropan-2-yl)naphthalen-2-yl]benzo[h]quinazoline
CID 176812271
12-[4-(2-deuteriopropan-2-yl)phenyl]-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816089
1-(3,5-dimethylphenyl)-6-(1,1,1-trifluoro-2-methylpropan-2-yl)isoquinoline
CID 167260716
1-(3,5-dimethylphenyl)-6-(1,1,1-trideuteriopropan-2-yl)isoquinoline
CID 158566063

Frequently Asked Questions

What is the IUPAC name of 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline?
The IUPAC name of 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline (CID 162692728) is 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline.
What is the SMILES notation for 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline?
The canonical SMILES for 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline is [2H]C(C)(C)c1cc2ccccc2c2ccc3c(-c4cc(C)cc(C)c4)ncnc3c12.
What is the InChIKey of 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline?
The InChIKey is BFKKZFRKNPLPCS-QNLPYAOMSA-N. The full InChI is InChI=1S/C27H24N2/c1-16(2)24-14-19-7-5-6-8-21(19)22-9-10-23-26(28-15-29-27(23)25(22)24)20-12-17(3)11-18(4)13-20/h5-16H,1-4H3/i16D.
What are the key properties of 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline?
5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline has a molecular weight of 377.51 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline is sourced from PubChem (CID 162692728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).