2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

C19H20N4O2 — CID 135921485

IUPAC2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCOc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C19H20N4O2/c1-25-13-6-7-14-16(10-13)22-19(15-4-2-3-5-17(15)24)23-18(14)21-12-8-9-20-11-12/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyPECUQAUAMCPSTL-LBPRGKRZSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds4

About 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 135921485) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID135921485
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCOc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C19H20N4O2/c1-25-13-6-7-14-16(10-13)22-19(15-4-2-3-5-17(15)24)23-18(14)21-12-8-9-20-11-12/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyPECUQAUAMCPSTL-LBPRGKRZSA-N
XLogP2.78
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (CID 135921485) is 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is COc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is PECUQAUAMCPSTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-13-6-7-14-16(10-13)22-19(15-4-2-3-5-17(15)24)23-18(14)21-12-8-9-20-11-12/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 336.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135921485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).