N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine

C29H33N7O2 — CID 163290936

IUPACN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc(NCCN5CCOCC5)nc4)cc3n1)CNCC2
InChIInChI=1S/C29H33N7O2/c1-37-27-16-21-6-7-30-17-24(21)15-26(27)35-29-33-19-23-3-2-20(14-25(23)34-29)22-4-5-28(32-18-22)31-8-9-36-10-12-38-13-11-36/h2-5,14-16,18-19,30H,6-13,17H2,1H3,(H,31,32)(H,33,34,35)
InChIKeyDZLMCNBEFPOGCU-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.83
Rot. Bonds8

About N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine

N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine (PubChem CID 163290936) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine
PubChem CID163290936
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc(NCCN5CCOCC5)nc4)cc3n1)CNCC2
InChIInChI=1S/C29H33N7O2/c1-37-27-16-21-6-7-30-17-24(21)15-26(27)35-29-33-19-23-3-2-20(14-25(23)34-29)22-4-5-28(32-18-22)31-8-9-36-10-12-38-13-11-36/h2-5,14-16,18-19,30H,6-13,17H2,1H3,(H,31,32)(H,33,34,35)
InChIKeyDZLMCNBEFPOGCU-UHFFFAOYSA-N
XLogP3.83
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine (CID 163290936) is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccc(NCCN5CCOCC5)nc4)cc3n1)CNCC2.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine?
The InChIKey is DZLMCNBEFPOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-37-27-16-21-6-7-30-17-24(21)15-26(27)35-29-33-19-23-3-2-20(14-25(23)34-29)22-4-5-28(32-18-22)31-8-9-36-10-12-38-13-11-36/h2-5,14-16,18-19,30H,6-13,17H2,1H3,(H,31,32)(H,33,34,35).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine?
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine has a molecular weight of 511.63 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine is sourced from PubChem (CID 163290936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).