7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline

C28H40N6O — CID 166793754

About 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline

7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline (PubChem CID 166793754) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

• Compound Name: 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline
• PubChem CID: 166793754
• Molecular Formula: C28H40N6O
• Molecular Weight: 476.67 g/mol
• Exact Mass: 476.33
• IUPAC Name: 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline
• SMILES: CC1CN(c2nc(OCC3CCCN3C)nc3c2CCC(N2CCCc4ccccc42)C3)CCN1
• InChI: InChI=1S/C28H40N6O/c1-20-18-33(16-13-29-20)27-24-12-11-22(34-15-5-8-21-7-3-4-10-26(21)34)17-25(24)30-28(31-27)35-19-23-9-6-14-32(23)2/h3-4,7,10,20,22-23,29H,5-6,8-9,11-19H2,1-2H3
• InChIKey: GVIGRSJXYVNTER-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 56.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.67
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline?

The IUPAC name of 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline (CID 166793754) is 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline.

What is the SMILES notation for 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline?

The canonical SMILES for 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline is CC1CN(c2nc(OCC3CCCN3C)nc3c2CCC(N2CCCc4ccccc42)C3)CCN1.

What is the InChIKey of 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline?

The InChIKey is GVIGRSJXYVNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O/c1-20-18-33(16-13-29-20)27-24-12-11-22(34-15-5-8-21-7-3-4-10-26(21)34)17-25(24)30-28(31-27)35-19-23-9-6-14-32(23)2/h3-4,7,10,20,22-23,29H,5-6,8-9,11-19H2,1-2H3.

What are the key properties of 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline?

7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 476.67 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 166793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).