N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

C23H28ClN5O3 — CID 91433483

IUPACN-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)c(Cl)cn1
InChIInChI=1S/C23H28ClN5O3/c1-15(2)32-20-11-16(31-9-8-29-6-4-5-7-29)10-19-22(20)23(27-14-26-19)28-18-12-21(30-3)25-13-17(18)24/h10-15H,4-9H2,1-3H3,(H,25,26,27,28)
InChIKeyQGENMDKIKJURJQ-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.69
Rot. Bonds9

About N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (PubChem CID 91433483) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
PubChem CID91433483
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC NameN-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)c(Cl)cn1
InChIInChI=1S/C23H28ClN5O3/c1-15(2)32-20-11-16(31-9-8-29-6-4-5-7-29)10-19-22(20)23(27-14-26-19)28-18-12-21(30-3)25-13-17(18)24/h10-15H,4-9H2,1-3H3,(H,25,26,27,28)
InChIKeyQGENMDKIKJURJQ-UHFFFAOYSA-N
XLogP4.69
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (CID 91433483) is N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is COc1cc(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)c(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
The InChIKey is QGENMDKIKJURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-15(2)32-20-11-16(31-9-8-29-6-4-5-7-29)10-19-22(20)23(27-14-26-19)28-18-12-21(30-3)25-13-17(18)24/h10-15H,4-9H2,1-3H3,(H,25,26,27,28).
What are the key properties of N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?
N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine has a molecular weight of 457.96 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 91433483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).