19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene

C43H25N5O2 — CID 155419303

About 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene

19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene (PubChem CID 155419303) has the molecular formula C43H25N5O2 and a molecular weight of 643.71 g/mol. Its IUPAC name is 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
• PubChem CID: 155419303
• Molecular Formula: C43H25N5O2
• Molecular Weight: 643.71 g/mol
• Exact Mass: 643.20
• IUPAC Name: 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7c(c54)Oc4ccccc4N7c4ccccc4O6)nc4ccccc34)cc2)nc1
• InChI: InChI=1S/C43H25N5O2/c1-3-14-32-29(12-1)39(27-22-20-26(21-23-27)31-13-9-10-24-44-31)46-43(45-32)48-33-15-4-2-11-28(33)30-25-38-41-42(40(30)48)50-37-19-8-6-17-35(37)47(41)34-16-5-7-18-36(34)49-38/h1-25H
• InChIKey: QKHSVVKFAFFWRR-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.71
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The IUPAC name of 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene (CID 155419303) is 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene.

What is the SMILES notation for 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The canonical SMILES for 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7c(c54)Oc4ccccc4N7c4ccccc4O6)nc4ccccc34)cc2)nc1.

What is the InChIKey of 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The InChIKey is QKHSVVKFAFFWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5O2/c1-3-14-32-29(12-1)39(27-22-20-26(21-23-27)31-13-9-10-24-44-31)46-43(45-32)48-33-15-4-2-11-28(33)30-25-38-41-42(40(30)48)50-37-19-8-6-17-35(37)47(41)34-16-5-7-18-36(34)49-38/h1-25H.

What are the key properties of 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene has a molecular weight of 643.71 g/mol, XLogP of 11.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene is sourced from PubChem (CID 155419303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).